EU-SICHERHEITSDATENBLATT Dieselkraftstoff ... - Schmierstoffe

EU-SICHERHEITSDATENBLATT 

gemäß Verordnung (EG) Nr. 1907/2006 und Verordnung (EU) Nr. 453/2010 (REACH) 

Dieselkraftstoff 

Materialnummer D001 

Bearbeitet: 30.05.2012 

Version: 12 

Sprache: de-DE 

Gedruckt: 14.06.2012 

Seite: 1 von 13 

1.1 Produktidentifikator 

Handelsname: 

REACH-Registrierungsnr.: 

ABSCHNITT 1: Bezeichnung des Stoffs bzw. 

des Gemischs und des Unternehmens 


01-2119484664-27-XXXX 

Dieses Sicherheitsdatenblatt gilt für die folgenden Produkte: 

Nr. 118 - Super Diesel mit Additiv 

Nr. 119 - Diesel 

Nr. 120 - Agip Super Diesel Forte 

Nr. 241 - Diesel ohne Additiv, 'Bio' > 4,4%, Österreich 

Nr. 242 - Diesel mit Additiv, 'Bio' > 4,4%, Österreich 

Nr. 247 - Agip Super Diesel Forte ohne 'Bio' 

Nr. 248 - Super Diesel mit Additiv ohne 'Bio' 

Nr. 249 - Diesel ohne 'Bio' 

Nr. 251 - DK Schiffbetriebskraftstoff, gefärbt 

Nr. 272 - Super Diesel B5 mit Additiv, Export 

Nr. 273 - Diesel B5 Export 

1.2 Relevante identifizierte Verwendungen des Stoffs oder Gemischs und Verwendungen, von 

denen abgeraten wird 

Allgemeine Verwendung 


Identifizierte Verwendungen 1. Herstellung des Stoffes: Industrie 

1a. Verteilung des Stoffes: Industrie 

1b. Verwendung als Zwischenprodukt: Industrie 

2. Zubereitung und (Um-)Packen von Stoffen und Gemischen: Industrie 

3a. Anwendungen in Beschichtungen: Industrie 

3b. Anwendungen in Beschichtungen: Gewerbe 

5a. Verwendung im Bohr- und Förderbetrieb in Öl- und Gasfeldern: Industrie 

5b. Verwendung im Bohr- und Förderbetrieb in Öl- und Gasfeldern: Gewerbe 

6a. Schmierstoffe: Industrie 

6b. Schmierstoffe: Gewerbe (niedrig Ausfertigung) 

6c. Schmierstoffe: Gewerbe (hoch Ausfertigung) 

7a. Verwendung in Metall Industrie / Walzöle: Industrie 

10a. Verwendung in Binde- und Trennmitteln: Industrie 

10b. Verwendung in Binde- und Trennmitteln: Gewerbe 

12a. Verwendung als Brennstoff: Industrie 

12b. Verwendung als Brennstoff: Gewerbe 

12c. Verwendung als Brennstoff: Verbraucher 

13a. Verwendung in Funktionsflüssigkeiten: Industrie 

13b. Verwendung in Funktionsflüssigkeiten: Gewerbe 

19. Gummiproduktion und -verarbeitung: Industrie 

1.3 Einzelheiten zum Lieferanten, der das Sicherheitsdatenblatt bereitstellt 

Firmenbezeichnung: Eni Deutschland GmbH 

Straße/Postfach: Sonnenstr. 23 

PLZ, Ort: 

80331 München 

Deutschland 

Telefon: +49 (0)89-59 07-0 

Telefax: +49 (0)89-59 63-03 

Auskunft gebender Bereich: HSE 

Telefon: +49 (0)89-59 07-0, Email: info@agip.de 

gedruckt von Eni Deutschland 

... mit Qualisys SUMDAT






Version: 12 


Gedruckt: 14.06.2012 


1.4 Notrufnummer 

Beratungsstelle für Vergiftungserscheinungen (GIZ) 

Telefon: +49 (0)228-19240 

ABSCHNITT 2: Mögliche Gefahren 

2.1 Einstufung des Stoffs oder Gemischs 

Einstufung gemäß EG-Verordnung 1272/2008 (CLP): 

STOT RE 2; H373 Kann die Organe schädigen bei längerer oder wiederholter Exposition. 

Asp. Tox. 1; H304 Kann bei Verschlucken und Eindringen in die Atemwege tödlich sein. 

Aquatic Chronic 2; H411 Giftig für Wasserorganismen, mit langfristiger Wirkung. 

Carc. 2; H351 

Kann vermutlich Krebs erzeugen. 

Flam. Liq. 3; H226 Flüssigkeit und Dampf entzündbar. 

Acute Tox. 4; H332 Gesundheitsschädlich bei Einatmen. 

Skin Irrit. 2; H315 Verursacht Hautreizungen. 

Einstufung gemäß Richtlinie 67/548/EWG: 

Carc. Cat. 3; R40 Verdacht auf krebserzeugende Wirkung. 

Xn; R20 Gesundheitsschädlich beim Einatmen. 

Xn; R65 Gesundheitsschädlich: Kann beim Verschlucken Lungenschäden verursachen. 

Xi; R38 

Reizt die Haut. 

N; R51-53 Giftig für Wasserorganismen, kann in Gewässern längerfristig schädliche Wirkungen haben. 

2.2 Kennzeichnungselemente 

Kennzeichnung (CLP) 

Signalwort 

Gefahr 

Gefahrenhinweise H226 Flüssigkeit und Dampf entzündbar. 

H304 Kann bei Verschlucken und Eindringen in die Atemwege tödlich sein. 

H315 Verursacht Hautreizungen. 

H332 Gesundheitsschädlich bei Einatmen. 

H351 Kann vermutlich Krebs erzeugen. 

H373 Kann die Organe schädigen bei längerer oder wiederholter Exposition. 

H411 Giftig für Wasserorganismen, mit langfristiger Wirkung. 

Sicherheitshinweise P102 Darf nicht in die Hände von Kindern gelangen. 

P261 

P280 

P301+P310 

P331 

P501 

Einatmen von Dampf vermeiden. 

Schutzhandschuhe/Schutzkleidung/Augenschutz/Gesichtsschutz tragen. 

BEI VERSCHLUCKEN: Sofort GIFTINFORMATIONSZENTRUM oder Arzt anrufen. 

KEIN Erbrechen herbeiführen. 

Inhalt/Behälter der Problemabfallentsorgung zuführen. 

Kennzeichnung (67/548/EWG oder 1999/45/EG) 

Xi 

Xn 

N 

reizend 

gesundheitsschädlich 

umweltgefährlich 








Version: 12 


Gedruckt: 14.06.2012 


R-Sätze: R 20 Gesundheitsschädlich beim Einatmen. 

R 38 Reizt die Haut. 

R 40 Verdacht auf krebserzeugende Wirkung. 

R 51/53 Giftig für Wasserorganismen, kann in Gewässern längerfristig schädliche 

Wirkungen haben. 

R 65 Gesundheitsschädlich: Kann beim Verschlucken Lungenschäden verursachen. 

S-Sätze: S 2 Darf nicht in die Hände von Kindern gelangen. 

S 23 Gas/Rauch/Dampf/Aerosol nicht einatmen. 

S 24 Berührung mit der Haut vermeiden. 

S 36/37 Bei der Arbeit geeignete Schutzhandschuhe und Schutzkleidung tragen. 

S 51 Nur in gut gelüfteten Bereichen verwenden. 

S 61 Freisetzung in die Umwelt vermeiden. Besondere Anweisungen 

einholen/Sicherheitsdatenblatt zu Rate ziehen. 

S 62 Bei Verschlucken kein Erbrechen herbeiführen. Sofort ärztlichen Rat einholen 

und Verpackung oder dieses Etikett vorzeigen. 

2.3 Sonstige Gefahren 

Besondere Rutschgefahr durch auslaufendes/verschüttetes Produkt. 

3.1 Stoffe 

ABSCHNITT 3: Zusammensetzung / Angaben zu Bestandteilen 

Chemische Charakterisierung (Stoff): 

Dieselkraftstoff gemäß DIN EN 590. 

Komplexes Gemisch aus paraffinischen, cycloparaffinischen, aromatischen und olefinischen 

Kohlenwasserstoffen. Kann Additive enthalten. 

Gehalt an FAME (Biodiesel) bis 7 Vol-%. 

CAS-Nummer: 68334-30-5 

EINECS-Nummer: 269-822-7 

EU-Identifikationsnummer: 649-224-00-6 

4.1 Beschreibung der Erste-Hilfe-Maßnahmen 

Allgemeine Hinweise: 

Nach Einatmen: 

Nach Hautkontakt: 

Nach Augenkontakt: 

Nach Verschlucken: 

ABSCHNITT 4: Erste-Hilfe-Maßnahmen 

Ersthelfer: Auf Selbstschutz achten! 

Beschmutzte, getränkte Kleidung sofort ausziehen. 

Bei Gefahr von Bewusstlosigkeit Lagerung und Transport in stabiler Seitenlage. 

Betroffenen an die frische Luft bringen, beengende Kleidung lockern und ruhig lagern. Bei 

Atembeschwerden Sauerstoff geben. Bei unregelmäßiger Atmung oder Atemstillstand 

künstliche Beatmung einleiten. Sofort Arzt hinzuziehen. 

Bei Berührung mit der Haut sofort mit viel Wasser und Seife abspülen. 

Bei Hautreizungen Arzt aufsuchen. 

Sofort bei geöffnetem Lidspalt 10 bis 15 Minuten mit fließendem Wasser spülen. Anschließend 

Augenarzt konsultieren. 

Kein Erbrechen herbeiführen. Aspirationsgefahr! Sofort Arzt hinzuziehen. 

Bei Erbrechen zumindest Kopf in Seitenlage bringen. Atemwege freihalten. 

Die orale Aufnahme des Produktes kann durch den typischen Geruch festgestellt werden. 

4.2 Wichtigste akute oder verzögert auftretende Symptome und Wirkungen 

Folgende Symptome können auftreten: Kopfschmerzen, Übelkeit, Benommenheit, Schwindel, 

Atemnot, Bewusstlosigkeit. 








Version: 12 


Gedruckt: 14.06.2012 


4.3 Hinweise auf ärztliche Soforthilfe oder Spezialbehandlung 

Beim Verschlucken mit anschließendem Erbrechen kann Aspiration in die Lunge erfolgen, was 

zur chemischen Pneumonie oder zur Erstickung führen kann. Bei Lungenreizung 

Erstbehandlung mit Dexamethason-Spray. Regulierung der Kreislauffunktion, evtl. 

Schockbehandlung. 

Nach Verschlucken: Sofort und wiederholt reichlich Wasser mit Zusatz von viel Aktivkohle 

trinken lassen. Auf keinen Fall Milch oder fette Öle verabreichen. Für möglichst rasche 

Darmpassage sorgen. 

Vorsicht mit (Nor-)Adrenalin und seinen Abkömmlingen. 

5.1 Löschmittel 

Geeignete Löschmittel: 

ABSCHNITT 5: Maßnahmen zur Brandbekämpfung 

Aus Sicherheitsgründen ungeeignete Löschmittel: 

Wasservollstrahl 

Schaum, Trockenlöschmittel, ABC-Pulver, Wassersprühstrahl, Kohlendioxid, Sand. 

5.2 Besondere vom Stoff oder Gemisch ausgehende Gefahren 

Brennbar. Dämpfe bilden mit Luft explosionsfähige Gemische, die schwerer als Luft sind. Sie 

wälzen sich am Boden entlang und können bei Zündung über weitere Strecken zurückschlagen. 

Im Brandfall können entstehen: Stickoxide (NOx), Schwefeloxide, Kohlenmonoxid und 

Kohlendioxid, Ruß. 

5.3 Hinweise für die Brandbekämpfung 

Besondere Schutzausrüstung bei der Brandbekämpfung: 

Umgebungsluftunabhängiges Atemschutzgerät tragen. 

Zusätzliche Hinweise: 

Gefährdete Behälter mit Sprühwasser kühlen. Explosions- und Brandgase nicht einatmen. 

Kontaminiertes Löschwasser getrennt sammeln. Kontaminiertes Löschwasser muss 

entsprechend den behördlichen Vorschriften entsorgt werden. 

ABSCHNITT 6: Maßnahmen bei unbeabsichtigter Freisetzung 

6.1 Personenbezogene Vorsichtsmaßnahmen, Schutzausrüstungen und in Notfällen 

anzuwendende Verfahren 

6.2 Umweltschutzmaßnahmen 

Personen in Sicherheit bringen. Ungeschützte Personen fernhalten. 

Berührung mit den Augen und der Haut vermeiden. Geeignete Schutzkleidung tragen. Für 

ausreichende Lüftung sorgen. 

Eindringen in Erdreich, Gewässer oder Kanalisation verhindern. 

Bei Freisetzung zuständige Behörden benachrichtigen. 

Bei Auslaufen von größeren Mengen: Gefahr für Trinkwasser. 

6.3 Methoden und Material für Rückhaltung und Reinigung 

Zusätzliche Hinweise: 

Flächenmäßige Ausdehnung verhindern (z.B. durch Eindämmen oder Ölsperren). Von der 

Wasseroberfläche entfernen (z.B. abskimmen, absaugen). 

Mit unbrennbarem, flüssigkeitsbindendem Material (z.B. Sand/Erde/Kieselgur/Vermiculit) 

aufnehmen und vorschriftsmäßig entsorgen. Nicht mit Wasser oder wäßrigen 

Reinigungsmitteln wegspülen. 

Alle Zündquellen entfernen. Dämpfe bilden mit Luft explosive Gemische. Auf Rückzündung 

achten. 

Besondere Rutschgefahr durch auslaufendes/verschüttetes Produkt. 








Version: 12 


Gedruckt: 14.06.2012 


6.4 Verweis auf andere Abschnitte 

Siehe ergänzend Kapitel 8 und 13. 

ABSCHNITT 7: Handhabung und Lagerung 

7.1 Schutzmaßnahmen zur sicheren Handhabung 

Hinweise zum sicheren Umgang 

Für gute Be- und Entlüftung von Lager und Arbeitsplatz sorgen. 

Es ist antistatisch ausgerüstete Arbeitskleidung zu benutzen. 

Nur antistatisch ausgerüstetes (funkenfreies) Werkzeug verwenden. 

Ölnebelbildung vermeiden. Dämpfe nicht einatmen. 

Berührung mit den Augen und der Haut vermeiden. 

Nicht zu Reinigungszwecken verwenden. 

Hinweise zum Brand- und Explosionsschutz: 

Von Zündquellen fernhalten - Nicht rauchen. Von heißen Oberflächen fernhalten. 

Maßnahmen gegen elektrostatische Aufladungen treffen. Schweißverbot. 

Erdungsvorrichtungen benutzen. Auf Rückzündung achten. Nur explosionsgeschützte Geräte 

verwenden. 

Vorsicht mit entleerten Gebinden. Bei Entzündung Explosion möglich. 

7.2 Bedingungen zur sicheren Lagerung unter Berücksichtigung von Unverträglichkeiten 

Anforderungen an Lagerräume und Behälter: 

Nur Behälter verwenden, die speziell für das Produkt zugelassen sind. 

Behälter dicht geschlossen an einem gut gelüfteten Ort aufbewahren. Behälter trocken halten. 

Das Eindringen in den Boden ist sicher zu verhindern. 

Geeignetes Material: Stahl, HD Polyethylen, zugelassene Reservekanister 

Zusammenlagerungshinweise 

Nicht zusammen mit Oxidationsmitteln lagern. 

Nicht mit brandfördernden und selbstentzündlichen Stoffen sowie leichtentzündlichen 

Feststoffen zusammen lagern. 

Von Nahrungsmitteln und Getränken fernhalten. 

Sonstige Hinweise: Unter Verschluss und für Kinder unzugänglich aufbewahren. 

Lagerklasse: 

3 Entzündbare Flüssigkeiten 

7.3 Spezifische Endanwendungen 


ABSCHNITT 8: Begrenzung und Überwachung der 

Exposition/Persönliche Schutzausrüstungen 

8.1 Zu überwachende Parameter 

Zusätzliche Hinweise: Ölnebel und Dämpfe: 20 mg/m³ (BIA-Information 3/82) 

Aerosole: 5 mg/m³ (Beurteilung von Mineralölkonzentrationen in der Luft am Arbeitsplatz; 

Analysenmethode BG 07292) 

DNEL/DMEL 

DNEL Kurzzeit, Arbeiter, inhalativ: 4300 mg/m³/15min (1560 mg/m³/4h). 

DNEL Langzeit, Arbeiter, dermal: 2,9 mg/kg/8h (30 mg/kg/d) 

DNEL Langzeit, Arbeiter, inhalativ: 68 mg/m³/8h (Aerosol) (125 mg/kg/d) 

DNEL Kurzzeit, Verbraucher, inhalativ: 2600 mg/m³/15min (1560 mg/m³/4h) 

DNEL Langzeit, Verbraucher, dermal: 1,3 mg/kg/24h (30 mg/kg/d) 

DNEL Langzeit, Verbraucher, inhalativ: 20 mg/m³/24h (Aerosol) (125 mg/kg/d) 








Version: 12 


Gedruckt: 14.06.2012 


8.2 Begrenzung und Überwachung der Exposition 

Für gute Raumbelüftung, Absaugung/Entlüftung sorgen. 

In geschlossenen Räumen: Absaugung erforderlich. 

Im Außenbereich und offenen Hallen ist die natürliche Lüftung ausreichend. 

Begrenzung und Überwachung der Exposition am Arbeitsplatz 

Atemschutz: 

Falls Dämpfe auftreten, ist Atemschutz erforderlich. 

Filter Typ A (= gegen Dämpfe von organischen Verbindungen) gemäß EN 14387 benutzen. 

Umgebungsluftunabhängiges Atemschutzgerät bei unklaren Verhältnissen und 

Sauerstoffgehalten unter 17% verwenden. 

Handschutz: Schutzhandschuhe gemäß EN 374. 

Handschuhmaterial: 

Kurzeinwirkung: Chloroprenkautschuk oder PVC (0,5 mm; max. 4h). 

Bei längerer Exposition: 

Nitrilkautschuk (0,35 mm) oder Fluorkautschuk (0,4 mm). 

Durchbruchzeit (maximale Tragedauer): >= 480 min. 

Ungeeignetes Material: Naturkautschuk, Butylkautschuk. 

Die Angaben des Herstellers der Schutzhandschuhe zu Durchlässigkeiten und 

Durchbruchzeiten sind zu beachten. 

Augenschutz: Dicht schließende Schutzbrille gemäß EN 166. 

Bei erhöhter Gefährdung zusätzlich Gesichtsschutzschild. 

Körperschutz: 

Overall/Ölfeste Schutzkleidung tragen. 

Schutz- und Hygienemaßnahmen: 

Am Arbeitsplatz nicht essen, trinken, rauchen, schnupfen. 

Beschmutzte, getränkte Kleidung sofort ausziehen. 

Vor den Pausen und bei Arbeitsende Hände waschen. 

Nach der Arbeit gründliche Hautreinigung und Hautpflege. 

Keine produktgetränkten Putzlappen in den Hosentaschen mitführen. 

ABSCHNITT 9: Physikalische und chemische Eigenschaften 

9.1 Angaben zu den grundlegenden physikalischen und chemischen Eigenschaften 

Form: 

Farbe 

Geruch: 

flüssig 

gelb 

charakteristisch, nach Mineralöl 

Siedepunkt / Siedebereich 168 - 366 °C (DIN EN ISO 3405) 

Schmelzpunkt / Schmelzbereich -40 bis +6 °C (CONCAWE 2010a) 

Flammpunkt / Flammbereich: > 56 °C (1013 hPa, CONCAWE 2010a) 

Zündtemperatur > 225 °C (CONCAWE 2010a) 

Explosionsgefahr: 

Das Produkt ist nicht explosionsgefährlich. 

Explosionsgrenzen: 

UEG (untere Explosionsgrenze): 0,60 Vol-% 

OEG (obere Explosionsgrenze): 6,50 Vol-% 

Dampfdruck: 

bei 20 °C: 3). 

Viskosität, kinematisch: bei 40 °C: 2,72 mm²/s (DIN EN ISO 3104) 








Version: 12 


Gedruckt: 14.06.2012 


9.2 Sonstige Angaben 

Relative Dampfdichte bei 20 °C (Luft = 1): > 5 

Nicht oxidierend. 

10.1 Reaktivität 

ABSCHNITT 10: Stabilität und Reaktivität 

Bildet mit Luft explosive Gemische, auch in leeren, ungereinigten Behältern. 

Dämpfe sind schwerer als Luft, sie breiten sich am Boden aus. 

10.2 Chemische Stabilität 

Das Produkt ist unter normalen Lagerbedingungen stabil. 

10.3 Möglichkeit gefährlicher Reaktionen 

Reagiert mit Oxidationsmitteln. 

10.4 Zu vermeidende Bedingungen 

10.5 Unverträgliche Materialien 

Vor Hitze schützen. 

Dämpfe sind schwerer als Luft, sie breiten sich am Boden aus. 

Bei starker Erwärmung: Brandgefahr/Gefahr der Selbstentzündung. 

Oxidationsmittel 

10.6 Gefährliche Zersetzungsprodukte 

Im Brandfall können entstehen: Stickoxide (NOx), Schwefeloxide, Kohlenmonoxid und 

Kohlendioxid, Ruß. 

ABSCHNITT 11: Toxikologische Angaben 

11.1 Angaben zu toxikologischen Wirkungen 

Akute Toxizität: 

LD50 Ratte, oral: > 2000 mg/kg bw (CONCAWE) 

LC50 Ratte, inhalativ: 4,1 mg/L/4h (OECD 403) 

LD50 Kaninchen, dermal: > 5000 mg/kg bw (OECD 434) 








Version: 12 


Gedruckt: 14.06.2012 


Toxikologische Wirkungen 

Symptome 

Akute Toxizität (oral): Aufgrund der verfügbaren Daten sind die Einstufungskriterien nicht erfüllt. 

Akute Toxizität (dermal): Aufgrund der verfügbaren Daten sind die Einstufungskriterien nicht 

erfüllt. 

Akute Toxizität (inhalativ): Acute Tox. 4; H332. Gesundheitsschädlich bei Einatmen. Kann 

Reizungen hervorrufen. 

Ätzung/Reizung der Haut: Skin Irrit. 2; H315. Verursacht Hautreizungen. 

Spezifische Symptome im Tierversuch (Kaninchen): reizend (API 1980b) 

Augenschädigung/-reizung: Aufgrund der verfügbaren Daten sind die Einstufungskriterien nicht 

erfüllt. Spezifische Symptome im Tierversuch (Kaninchen): nicht reizend (OECD 405) 

Sensibilisierung der Atemwege: Fehlende Daten. 

Sensibilisierung der Haut: Aufgrund der verfügbaren Daten sind die Einstufungskriterien nicht 

erfüllt. Spezifische Symptome im Tierversuch (Meerschweinchen): nicht sensibilisierend 

(OECD 406) 

Keimzellmutagenität/Genotoxizität: Aufgrund der verfügbaren Daten sind die 

Einstufungskriterien nicht erfüllt. Mutagenität: negativ (read across) 

Karzinogenität: Carc. 2; H351. Kann vermutlich Krebs erzeugen. 

Reproduktionstoxizität: Aufgrund der verfügbaren Daten sind die Einstufungskriterien nicht 

erfüllt. Reproduktionstoxizität: 

NOAEL Ratte, dermal: 500 mg/kg bw/d 

NOAEC Ratte, inhalativ: 1710 mg/m³ 

Entwicklungsschädigung: 



Wirkungen auf und über die Muttermilch: Fehlende Daten. 

Spezifische Zielorgan-Toxizität (einmalige Exposition): Fehlende Daten. 

Spezifische Zielorgan-Toxizität (wiederholte Exposition): STOT RE 2; H373. Kann die Organe 

schädigen bei längerer oder wiederholter Exposition. 

Betroffene Organe: Thymus, Blut, Leber 

NOAEC Ratte, dermal: 30 mg/kg bw/d (OECD 411) 

Aspirationsgefahr: Asp. Tox. 1; H304. Kann bei Verschlucken und Eindringen in die Atemwege 

tödlich sein. 

Gefahr einer Lungenreizung. Die Ausbildung einer Pneumonie oder eines Lungenödems ist in 

schweren Fällen nicht auszuschließen. 

Nach Einatmen: 

Länger anhaltende Inhalation konzentrierter Dämpfe führt zu Kopfschmerzen, Schwindel, und 

Störungen des ZNS. 

Weitere Symptome: Übelkeit, Euphorie, Erregung, Herz-Kreislaufstörungen, Atemlähmung, 

Bewusstlosigkeit. 

Nach Verschlucken: ZNS-Stimulanz, gastrointestinale Störungen, Schmerzen. 

Nach Hautkontakt: 

Wirkt entfettend auf die Haut. Wiederholter Kontakt kann zu spröder oder rissiger Haut führen. 

Dies kann zur Reizung/Dermatitis führen. 








Version: 12 


Gedruckt: 14.06.2012 


Allgemeine Bemerkungen 

Mutagenität: 

In-vitro-Mutagenität Ames-Test: positiv (OECD 471) (Quelle: Deininger, Jungen, 

Wenzel-Hartung 1991) 

Karzinogenität: 

Verdacht auf krebserzeugende Wirkung. 

Reproduktionstoxizität: 



Entwicklungsschädigung: 



12.1 Toxizität 

Aquatische Toxizität: 

ABSCHNITT 12: Umweltbezogene Angaben 

Giftig für Wasserorganismen, kann in Gewässern längerfristig schädliche Wirkungen haben. 

Algentoxizität: 

EbL50 Pseudokirchneriella subcapitata (Grünalge): 10-78 mg/L/72h (OECD 201, based on 

Wachstumrate) 

NOEL Pseudokirchneriella subcapitata (Grünalge): 3-10 mg/L/72h (OECD 201, based on 

Wachstumrate) 

Quelle: Girling, A. and Cann, B. (1996b) 

Daphnientoxizität: 

Kurzzeit, EL50: 68-210 mg/L/48h. (OECD 202) 

Kurzzeit, NOEL: 46 mg/L/48h. (OECD 202) 


Langzeit, NOEL 0,2 mg/L/21d (QSAR, PETROTOX) 

Quelle: Redman, et al. (2010b) 

Fischtoxizität: 

Kurzzeit, LL50 Oncorhynchus mykiss (Regenbogenforelle): 21-65 mg/L/96h 

Kurzzeit, NOEL: 10 mg/L 


Langzeit, NOEL Oncorhynchus mykiss (Regenbogenforelle): 0,083 mg/L/14d 


Wassergefährdungsklasse: 2 = wassergefährdend (WGK-Katalognummer 76) 

Sonstige Hinweise: Die Substanz schwimmt auf der Wasseroberfläche. 

Wird vom Boden adsorbiert und ist nicht mobil. 

12.2. Persistenz und Abbaubarkeit 

Sonstige Hinweise: 

Biologische Abbaubarkeit in Wasser: 60 %/28d. Das Produkt ist biologisch nicht leicht 

abbaubar. (Quelle: Anon 2003) 

Verhalten in Kläranlagen: 

Bakterientoxizität: 

EL50 Tetrahymena pyriformis: >1000 mg/L 

NOEL Tetrahymena pyriformis: 3217 mg/L/40h Belebtschlamm 

(QSAR, PETROTOX, based on Wachstumsinhibierung) 


12.3 Bioakkumulationspotenzial 

Verteilungskoeffizient n-Octanol/Wasser: 

3,9-6 log P(o/w) 

Ein nennenswertes Bioakkumulationspotential ist zu erwarten (log P(o/w) >3). 








Version: 12 


Gedruckt: 14.06.2012 


12.4 Mobilität im Boden 

Verteilung in der Umwelt nach Berechnungsmodell (PETRORISK): 

Luft: 24,36% 

Wasser: 0,14 % 

Boden: 62,86 % 

Sediment: 12,64 % 

Sediment, suspendiert: < 0,1 % 

Biota: < 0,1 % 

Aerosol: < 0,1 % 

(Quelle: Redman, et al. 2010a) 

12.5 Ergebnisse der PBT- und vPvB-Beurteilung 

Dieser Stoff erfüllt nicht die PBT-/vPvB-Kriterien der REACH-Verordnung, Annex XIII. 

12.6 Andere schädliche Wirkungen 

Allgemeine Hinweise: 

Nicht in das Grundwasser, in Gewässer oder in die Kanalisation gelangen lassen. 

Bei Auslaufen von größeren Mengen: Gefahr für Trinkwasser. 

13.1 Verfahren der Abfallbehandlung 

Produkt 

ABSCHNITT 13: Hinweise zur Entsorgung 

Abfallschlüsselnummer 13 07 01* = Dieselkraftstoff 

* = Die Entsorgung ist nachweispflichtig. 

Empfehlung: 

Entsorgung gemäß Kreislaufwirtschafts- und Abfallgesetz (KrW-/AbfG) 

Übergabe an zugelassenes Entsorgungsunternehmen. 

Ein Eintrag in die Umwelt ist zu vermeiden. 

Weitere Angaben 

Beförderung im Tankwagen./Beförderung im Kesselwagen. 

Sorgfältig und möglichst vollständig entleeren. 

Vorsicht mit entleerten Gebinden. Bei Entzündung Explosion möglich. 

14.1 UN-Nummer 

1202 

ABSCHNITT 14: Angaben zum Transport 

14.2 Ordnungsgemäße UN-Versandbezeichnung 

ADR/RID, ADN: 

IMDG, IATA: 

UN 1202, DIESELKRAFTSTOFF 

DIESEL FUEL 

14.3 Transportgefahrenklassen 

ADR/RID, ADN: Klasse 3, Code: F1 

IMDG: Class 3, Code - 

IATA: Class 3 

14.4 Verpackungsgruppe 

III 








Version: 12 


Gedruckt: 14.06.2012 


14.5 Umweltgefahren 

Meeresschadstoff - IMDG: 

Meeresschadstoff - ADN: 

Ja 

Ja 

14.6 Besondere Vorsichtsmaßnahmen für den Verwender 

Landtransport (ADR/RID) 

Warntafel: ADR/RID: Gefahrnummer 30, UN-Nummer 1202 

Gefahrzettel 3 

Sondervorschriften 

Begrenzte Mengen 

EQ 

Verpackung: Anweisungen 

Sondervorschriften für die Zusammenpackung MP19 

Ortsbewegliche Tanks: Anweisungen 

Ortsbewegliche Tanks: Sondervorschriften 

Tankcodierung 

Tunnelbeschränkungscode: 

Binnenschiffstransport (ADN) 

Gefahrzettel 3 

Sondervorschriften 


EQ 

Beförderung zugelassen 

Ausrüstung erforderlich 

Lüftung 

Seeschiffstransport (IMDG) 

EmS: 

Sondervorschriften - 


EQ 

Verpackung: Anweisungen 

Verpackung: Vorschriften - 

IBC: Anweisungen 

IBC: Vorschriften - 

Tankanweisungen: IMO - 

640L 

5 L 

E1 

P001 IBC03 LP01 R001 

T2 

TP1 

LGBF 

D/E 

640L 

5 L 

E1 

T 

PP - EX - A 

VE01 

F-E, S-E 

5 L 

E1 

P001, LP01 

IBC03 

Tankanweisungen: UN 

T2 

Tankanweisungen Vorschriften 

TP1 

Stowage and segregation Category A. 

Properties and observations 

Immiscible with water. 

Lufttransport (IATA) 

Hazard 

EQ 

Passenger Ltd.Qty.: 

Passenger: 

Cargo: 

Special Provisioning 

ERG 

Flamm. liquid 

E1 

Pack.Instr. Y344 - Max.Qty. 10 L 

Pack.Instr. 355 - Max.Qty. 60 L 

Pack.Instr. 366 - Max.Qty. 220 L 

A3 

3L 

14.7 Massengutbeförderung gemäß Anhang II des MARPOL-Übereinkommens 73/78 und gemäß 

IBC-Code 

Keine Daten verfügbar 








Version: 12 


Gedruckt: 14.06.2012 


ABSCHNITT 15: Rechtsvorschriften 

15.1 Vorschriften zu Sicherheit, Gesundheits- und Umweltschutz/spezifische 

Rechtsvorschriften für den Stoff oder das Gemisch 

Nationale Vorschriften - Deutschland 

Lagerklasse: 

3 Entzündbare Flüssigkeiten 

Wassergefährdungsklasse: 2 = wassergefährdend (WGK-Katalognummer 76) 

Störfallverordnung: Nr. 9b, Nr. 13.3 

Hinweise zur Beschäftigungsbeschränkung: 

Beschäftigungsbeschränkungen für Jugendliche beachten. 

Beschäftigungsbeschränkungen für werdende und stillende Mütter beachten. 

Nationale Vorschriften - Großbritannien 

DG-EA-Code (Hazchem): 

3Y 

Nationale Vorschriften - USA 

Gefahrbewertungssysteme 

2 

2 0 

TSCA Inventory: listed; UVCB 

TSCA HPVC: not listed 

NFPA Hazard Rating: 

Health: 2 (Moderate) 

Fire: 2 (Moderate) 

Reactivity: 0 (Minimal) 

15.2 Stoffsicherheitsbeurteilung 

HMIS Version III Rating: 

Health: 2 (Moderate) - Chronic effects 

Flammability: 2 (Moderate) 

Physical Hazard: 0 (Minimal) 

Personal Protection: X = Consult your supervisor 

Eine Stoffsicherheitsbeurteilung wurde für diesen Stoff durchgeführt. 

HEALTH * 2 

FLAMMABILITY 2 

PHYSICAL HAZARD 0 

X 

Weitere Informationen 

ABSCHNITT 16: Sonstige Angaben 

Wortlaut der H-Sätze unter Abschnitt 2 und 3: 

H226 = Flüssigkeit und Dampf entzündbar. 

H304 = Kann bei Verschlucken und Eindringen in die Atemwege tödlich sein. 

H315 = Verursacht Hautreizungen. 

H332 = Gesundheitsschädlich bei Einatmen. 

H351 = Kann vermutlich Krebs erzeugen. 

H373 = Kann die Organe schädigen bei längerer oder wiederholter Exposition. 

H411 = Giftig für Wasserorganismen, mit langfristiger Wirkung. 

Wortlaut der R-Sätze unter Abschnitt 2 und 3: 

R 20 = Gesundheitsschädlich beim Einatmen. 

R 38 = Reizt die Haut. 

R 40 = Verdacht auf krebserzeugende Wirkung. 

R 51/53 = Giftig für Wasserorganismen, kann in Gewässern längerfristig schädliche Wirkungen 

haben. 

R 65 = Gesundheitsschädlich: Kann beim Verschlucken Lungenschäden verursachen. 








Version: 12 


Gedruckt: 14.06.2012 


Literatur: CONCAWE (Chemical Safety Report Part B, Other Gas Oils 07/2010) 

CONCAWE (Chemical Safety Report Part B, VHGO 07/2010) 

CONCAWE (Madouplein 1, B-1030 Brussels, Belgium): 

- Dossier 'Liquified Petroleum Gas', 92/102 

- Report 01/53 (Classification and of Labelling of Petroleum Substances Directive) 

- Report 01/54 (Environmental Classification of Petroleum Substances - Summary data and 

Rationale) 

DGMK: 

- Bericht 400-1: Mineralölprodukte. Erste-Hilfe-Maßnahmen, medizinisch-toxikologische Daten 

und Fachinformationen für Ärzte 

- Bericht 538: Mineralölprodukte 

Hommel: Merkblatt 83 

Mineralölwirtschaftsverband (MWV): 

- Merkblatt über Vorsichtsmaßnahmen beim Umgang mit flüssigen Mineralölen und 

Schmierfetten 

ICSC 1561 

Grund der letzten Änderungen: 

Änderung in Abschnitt 3: DIN EN 590 

Änderung in Abschnitt 11, 15: Allgemeine Überarbeitung 

Angelegt: 27.11.2007 

Datenblatt ausstellender Bereich 

Ansprechpartner: 

siehe Kapitel 1, Auskunft gebender Bereich. 

Die Angaben in diesem Datenblatt sind nach bestem Wissen zusammengestellt und entsprechen dem Stand der 

Kenntnis zum Überarbeitungsdatum. Sie sichern jedoch nicht die Einhaltung bestimmter Eigenschaften im Sinne 

der Rechtsverbindlichkeit zu. 



Vacuum Gas Oils, Hydrocracked Gas Oils, and Distillate Fuels 

9. EXPOSURE ASSESSMENT 

Table 9.1. Identified Use Description and Exposure Scenario Number Key 

IU Category Identified Use 

Name 

Sector ES 

Number 

Sector 

of Use 

(SU) 

Product 

Category 

(PC) 

Process 

Category 

(PROC) 

1 Vacuum gas oils, 

hydrocracked gas 

oils and distillate 

fuels 




fuels 




fuels 




fuels 

01 – Manufacture 

of Substance 

01b – Use of 

Substance as 

Intermediate 

01a – 

Distribution of 

Substance 

02 – Formulation 

& (Re)packing of 

Substances and 

Mixtures 

Industrial ES 9.1.1 3, 8, 9 NA 1, 2, 3, 4, 8a, 8b, 

15 

Industrial ES 9.2.1 3, 8, 9 NA 1, 2, 3, 4, 8a, 8b, 

15 

Industrial ES 9.3.1 3 NA 1, 2, 3, 4, 8a, 8b, 

9, 15 

Industrial ES 9.4.1 3, 10 NA 1, 2, 3, 4, 5, 8a, 

8b, 9, 14, 15 




fuels 




fuels 

03a – Uses in 

Coatings: 

Industrial 

03b – Uses in 

Coatings: 

Professional 

Industrial ES 9.5.1 3 NA 1, 2, 3, 4, 5, 7, 

8a, 8b, 10, 13, 

15 

Professional ES 9.6.1 22 NA 1, 2, 3, 4, 5, 8a, 

8b, 10, 11, 13, 

15, 19 

2010-07-28 CSR 107 

Article 

Category 

(AC) 

Environmental 

Release 

Category 

(ERC) 

Specific 

Environmental 

Release Category 

(SpERC) 

NA 1, 4 ESVOC SpERC 

1.1.v1 

NA 6a ESVOC SpERC 

6.1a.v1 

NA 1, 2, 3, 4, 5, 6a, 

6b, 6c, 6d, 7 

ESVOC SpERC 

1.1b.v1 

NA 2 ESVOC SpERC 

2.2.v1 


4.3a.v1 

NA 8a, 8d ESVOC SpERC 

8.3b.v1





fuels 




fuels 




fuels 




fuels 




fuels 




fuels 

05a – Use in Oil 

and Gas Field 

Drilling and 

Production 

Operations: 

Industrial 

05b – Use in Oil 

and Gas field 

drilling and 

production 

operations: 

Professional 

06a – Lubricants: 

Industrial 

06b – Lubricants: 

Professional 

(Low Release) 

06c – Lubricants: 

Professional 

(High Release) 

07a – Use in 

Metal Working 

Fluids / Rolling 

Oils: Industrial 

Industrial ES 9.7.1 3 NA 1, 2, 3, 4, 8a, 8b NA 4 QUALITATIVE 

ASSESSMENT 

FOR 

ENVIRONMENT 

Professional ES 9.8.1 22 NA 1, 2, 3, 4, 8a, 8b NA 8d QUALITATIVE 

ASSESSMENT 

FOR 

ENVIRONMENT 

Industrial ES 9.9.1 3 NA 1, 2, 3, 4, 7, 8a, 

8b, 9, 10, 13, 17, 

18 

Professional ES 9.10.1 22 NA 1, 2, 3, 4, 8a, 8b, 

9, 10, 11, 13, 17, 

18, 20 

Professional ES 9.11.1 22 NA 1, 2, 3, 4, 8a, 8b, 

9, 10, 11, 13, 17, 

18, 20 


8a, 8b, 9, 10, 13, 

17 

NA 4, 7 ESVOC SpERC 

4.6a.v1 

NA 9a, 9b ESVOC SpERC 

9.6b.v1 


8.6c.v1 


4.7a.v1 




fuels 




fuels 

10a – Use as 

Release Agents 

or Binders: 

Industrial 

10b – Use as 

Release Agents 

or Binders: 

Professional 


8b, 10, 13, 14 

Professional ES 9.14.1 22 NA 1, 2, 3, 4, 6, 8a, 

8b, 10, 11, 14 


4.10a.v1 


8.10b.v1 

2010-07-28 CSR 108





fuels 




fuels 




fuels 




fuels 




fuels 

12a – Use as a 

Fuel: Industrial 

12b – Use as a 

Fuel: 

Professional 

12c – Use as a 

Fuel: Consumer 

13a – Use as 

Functional 

Fluids: Industrial 

15 – Use in Road 

and Construction 

Applications: 

Professional 

Industrial ES 9.15.1 3 NA 1, 2, 3, 8a, 8b, 

16 

Professional ES 9.16.1 22 NA 1, 2, 3, 8a, 8b, 

16 


7.12a.v1 

NA 9a, 9b ESVOC SpERC 

9.12b.v1 

Consumer ES 9.17.1 21 13 NA NA 9a, 9b ESVOC SpERC 

9.12c.v1 

Industrial ES 9.18.1 3 NA 1, 2, 3, 4, 8a, 8b, 

9 

Professional ES 9.19.1 22 NA 8a, 8b, 9, 10, 11, 

13 


7.13a.v1 

NA 8d, 8f ESVOC SpERC 

8.15.v1 




fuels 




fuels 

18b – Explosives 

Manufacture & 

Use: Professional 

19 – Rubber 

Production and 

processing: 

Industrial 

Professional ES 9.20.1 22 NA 1, 3, 5, 8a, 8b NA 8e ERC DEFINED 

RELEASE 

FRACTIONS 

Industrial ES 9.21.1 3, 10, 

11 

NA 1, 2, 3, 4, 5, 6, 7, 

8a, 8b, 9, 13, 14, 

15, 21 

NA 1, 4, 6d ESVOC SpERC 

4.19.v1 

2010-07-28 CSR 109


The process of mapping uses and characterising risks has often identified a series of supporting 

measures that may further contribute to the management of exposure. The measures are identified in 

blue text in the Appendices contained in section 10. These measures are not contained within the 

Exposure Scenarios (ES) as they do not need to be implemented in order to achieve satisfactory 

exposure control. However, they are identified within the CSA in order that stakeholders are able to 

benefit from access to other exposure control information that has been obtained during the process 

of CSA/ES development. 

2010-07-30 CSR 110


9.1. Manufacture of Gas Oils (vacuum, hydrocracked & distillate 

fuels) R20, R38, R40, R65, R51/53 – Industrial 

9.1.1. Exposure Scenario 

Section 1 Exposure Scenario Title Gas Oils (vacuum, hydrocracked & distillate fuels) R20, R38, 

R40, R65, R51/53 

Title 

Manufacture of Substance 

Use Descriptor 

Sector(s) of Use 3, 8, 9 

Process Categories 1, 2, 3, 4, 8a, 8b, 15 

Further information on the mapping and allocation of 

PROC codes is contained in Table 9.1 

Environmental Release Categories 1, 4 

Specific Environmental Release Category ESVOC SpERC 1.1.v1 

Processes, tasks, activities covered 

Manufacture of the substance or use as a process chemical or extraction agent. Includes recycling / 

recovery, material transfers, storage, sampling, associated laboratory activities, maintenance and 

loading (including marine vessel/barge, road/rail car and bulk container). 

Assessment Method 

See Section 3. 

Section 2 Operational conditions and risk management measures 

Section 2.1 Control of worker exposure 

Product characteristics 

Physical form of product Liquid 

Vapour pressure (kPa) Liquid, vapour pressure 20°C above ambient 

Conditions affecting temperature). OC7. Assumes a good basic standard of occupational 

exposure 

hygiene is implemented G1. 

Contributing Scenarios Specific Risk Management Measures and Operating Conditions 

General measures 

applicable to all activities 

CS135 

General measures (skin 

irritants) G19 

General exposures (Closed 

systems) CS15 

Control any potential exposure using measures such as contained 

systems, properly designed and maintained facilities and a good standard 

of general ventilation. Drain down systems and transfer lines prior to 

breaking containment. Drain down and flush equipment where possible 

prior to maintenance. 

Where there is potential for exposure: Ensure relevant staff are informed 

of exposure potential and aware of basic actions to minimise exposures; 

ensure suitable personal protective equipment is available; clear up spills 

and dispose of waste in accordance with regulatory requirements; monitor 

effectiveness of control measures; provide regular health surveillance as 

appropriate; identify and implement corrective actions. G25 

Avoid direct skin contact with product. Identify potential areas for indirect 

skin contact. Wear gloves (tested to EN374) if hand contact with 

substance likely. Clean up contamination/spills as soon as they occur. 

Wash off skin contamination immediately. Provide basic employee 

training to prevent / minimise exposures and to report any skin effects 

that may develop. E3 

Handle substance within a closed system E47 

2010-07-30 CSR 111


General exposures (Open 

systems) CS16 

Process Sampling CS2 

Bulk closed loading and 

unloading CS501 

Bulk open loading and 


Equipment cleaning and 

maintenance CS39 

Wear suitable gloves tested to EN374 PPE15 

No other specific measures identified EI20 

Handle substance within a closed system E47 Wear suitable gloves 

tested to EN374 PPE15 


Drain down system prior to equipment break-in or maintenance. E65. 

Wear chemically resistant gloves (tested to EN374) in combination with 

‘basic’ employee training. PPE16 


Laboratory activities CS36 

Bulk storage CS85 Store substance within a closed system. E84 

Additional information on the basis for the allocation of the identified OCs and RMMs is 

contained in Appendices 2 to 3 

Section 2.2 Control of environmental exposure 


Substance is complex UVCB [PrC3]. Predominantly hydrophobic [PrC4a]. 

Amounts used 

Fraction of EU tonnage used in region 0.1 

Regional use tonnage (tonnes/year) 2.8e7 

Fraction of Regional tonnage used locally 0.021 

Annual site tonnage (tonnes/year) 6.0e5 

Maximum daily site tonnage (kg/day) 2.0e6 

Frequency and duration of use 

Continuous release [FD2]. 

Emission days (days/year) 300 

Environmental factors not influenced by risk management 

Local freshwater dilution factor 10 

Local marine water dilution factor 100 

Other given operational conditions affecting environmental exposure 

Release fraction to air from process (initial release prior to RMM) 

1.0e-2 

Release fraction to wastewater from process (initial release prior to 3.0e-5 

RMM) 

Release fraction to soil from process (initial release prior to RMM) 0.0001 

Technical conditions and measures at process level (source) to prevent release 

Common practices vary across sites thus conservative process release estimates used [TCS1]. 

Technical onsite conditions and measures to reduce or limit discharges, air emissions and 

releases to soil 

Risk from environmental exposure is driven by freshwater sediment [TCR1b]. 

Prevent discharge of undissolved substance to or recover from onsite wastewater [TCR14]. 

If discharging to domestic sewage treatment plant, no onsite wastewater treatment required [TCR9]. 

Treat air emission to provide a typical removal efficiency of (%) 90 

Treat onsite wastewater (prior to receiving water discharge) to provide 90.3 

the required removal efficiency (%) 

If discharging to domestic sewage treatment plant, provide the required 0 

onsite wastewater removal efficiency of (%) 

Organisation measures to prevent/limit release from site 

Prevent discharge of undissolved substance to or recover from wastewater [OMS1]. Do not apply 

industrial sludge to natural soils [OMS2]. Sludge should be incinerated, contained or reclaimed 

[OMS3]. 

Conditions and measures related to municipal sewage treatment plant 

Estimated substance removal from wastewater via domestic sewage 

treatment (%) 

94.1 

2010-07-30 CSR 112


Total efficiency of removal from wastewater after onsite and offsite 94.1 

(domestic treatment plant) RMMs (%) 

Maximum allowable site tonnage (M Safe ) based on release following total 3.3e6 

wastewater treatment removal (kg/d) 

Assumed domestic sewage treatment plant flow (m 3 /d) 10000 

Conditions and measures related to external treatment of waste for disposal 

During manufacturing no waste of the substance is generated to treat [ETW4]. 

Conditions and measures related to external recovery of waste 

During manufacturing no waste of the substance is generated to recover [ERW2]. 

Additional information on the basis for the allocation of the indentified OCs and RMMs is 

contained in PETRORISK file. 

Section 3 Exposure Estimation 

3.1. Health 

The ECETOC TRA tool has been used to estimate workplace exposures unless otherwise indicated. 

G21. 

3.2. Environment 

The Hydrocarbon Block Method has been used to calculate environmental exposure with the Petrorisk 

model [EE2]. 

Section 4 Guidance to check compliance with the Exposure Scenario 

4.1. Health 

Predicted exposures are not expected to exceed the DN(M)EL when the Risk Management 

Measures/Operational Conditions outlined in Section 2 are implemented. G22. 

Where other Risk Management Measures/Operational Conditions are adopted, then users should 

ensure that risks are managed to at least equivalent levels. G23. 

Available hazard data do not enable the derivation of a DNEL for dermal irritant effects. G32. Available 

hazard data do not support the need for a DNEL to be established for other health effects. G36. Risk 

Management Measures are based on qualitative risk characterisation. G37. 


Guidance is based on assumed operating conditions which may not be applicable to all sites; thus, 

scaling may be necessary to define appropriate site-specific risk management measures [DSU1]. 

Required removal efficiency for wastewater can be achieved using onsite/offsite technologies, either 

alone or in combination [DSU2]. Required removal efficiency for air can be achieved using onsite 

technologies, either alone or in combination [DSU3]. Further details on scaling and control 

technologies are provided in SpERC factsheet (http://cefic.org/en/reach-for-industries-libraries.html). 

Scaled assessments for EU refineries have been performed using site-specific data and are attached 

in PETRORISK file attached to IUCLID section 13 – “Site-Specific Production” worksheet [DSU6]. For 

refinery sites where scaling revealed a condition of unsafe use (i.e., RCRs > 1), a site-specific 

chemical safety assessment was required [DSU8]. Taking into account the findings of the airmonitoring 

evaluation on benzene included as the Tier 2 analysis in the Low Boiling Point Naphtha 

category, the default “Air Removal Efficiency” of 90 % included in the SPERC has been shown to be 

over-conservative and that 95 % efficiency can safely be claimed in a Tier II analysis. On this basis, 

the Tier 2 analysis demonstrates that no refineries have RCRs>1 (see PETRORISK file in IUCLID 

section 13 – "Tier 2 Site Specific Production worksheet"). 

9.1.2. Exposure Estimation 

9.1.2.1. Human Health 

See Appendix 2.a and 2.b 

9.1.2.2. Environment 

See PETRORISK file in IUCLID section 13 – “LocalCSR” worksheet 

2010-07-30 CSR 113


9.2. Use of Gas Oils (vacuum, hydrocracked & distillate fuels) 

R20, R38, R40, R65, R51/53 as Intermediate – Industrial 



R40, R65, R51/53 

Title 

Use as Substance as Intermediate 






Environmental Release Categories 

6a 

Specific Environmental Release Category ESVOC SpERC 6.1a.v1 


Use of substance as an intermediate. Includes recycling/ recovery, material transfers, storage, 

sampling, associated laboratory activities, maintenance and loading (including marine vessel/barge, 

road/rail car and bulk container). 









exposure 





CS135 



General exposures (Closed 

systems) CS15 

















that may develop. E3 


2010-07-30 CSR 114



systems) CS16 

Process Sampling CS2 








Bulk storage CS85 










Store substance within a closed system. E84 






Amounts used 














1.0e-3 


RMM) 

















[OMS3]. 



treatment (%) 

94.1 

2010-07-30 CSR 115








This substance is consumed during use and no waste of the substance is generated to treat [ETW5]. 


This substance is consumed during use and no waste of the substance is generated to recover 

[ERW3]. 




3.1. Health 


G21. 



model [EE2]. 


4.1. Health 














technologies are provided in SpERC factsheet (http://cefic.org/en/reach-for-industries-libraries.html) 

[DSU4]. 






2010-07-30 CSR 116


9.3. Distribution of Gas Oils (vacuum, hydrocracked & distillate 




R40, R65, R51/53 

Title 

Distribution of Substance 


Sector(s) of Use 3 

Process Categories 1, 2, 3, 4, 8a, 8b, 9, 15 



Environmental Release Categories 1, 2, 3, 4, 5, 6a, 6b, 6c, 6d, 7 

Specific Environmental Release Category ESVOC SpERC 1.1b.v1 


Bulk loading (including marine vessel/barge, rail/road car and IBC loading) and repacking (including 

drums and small packs) of substance, including its sampling, storage, unloading, maintenance and 

associated laboratory activities. 







Vapour pressure (kPa) Liquid, vapour pressure



systems) CS16 

Process sampling CS2 






Drum and small pack filling 

CS6 













Storage CS67 

Handle substance within a closed system. E84 






Amounts used 


Regional use tonnage (tones/year) 2.8e7 












1.0e-3 


RMM) 






Risk from environmental exposure is driven by human via indirect exposure (primarily ingestion) 

[TCR1j] Prevent discharge of undissolved substance to or recover from onsite wastewater [TCR14].No 

wastewater treatment required [TCR6]. 


Treat onsite wastewater (prior to receiving water discharge) to provide 0 







[OMS3]. 


2010-07-30 CSR 118


Estimated substance removal from wastewater via domestic sewage 94.1 

treatment (%) 







External treatment and disposal of waste should comply with applicable regulations [ETW3]. 


External recovery and recycling of waste should comply with applicable regulations [ERW1]. 




3.1. Health 


G21. 



model [EE2]. 


4.1. Health 















[DSU4]. 






2010-07-30 CSR 119


9.4. Formulation & (Re)packing of Gas Oils (vacuum, 

hydrocracked & distillate fuels) R20, R38, R40, R65, R51/53 – 

Industrial 



R40, R65, R51/53 

Title 

Formulation & (Re)packing of Substances and Mixtures 


Sector(s) of Use 3, 10 

Process Categories 1, 2, 3, 4, 5, 8a, 8b, 9, 14, 15 



Environmental Release Categories 2 



Formulation, packing and re-packing of the substance and its mixtures in batch or continuous 

operations, including storage, materials transfers, mixing, tabletting, compression, pelletization, 

extrusion, large and small scale packing, maintenance, sampling and associated laboratory activities 









General exposures (closed 

systems) CS15 

General exposures (open 

systems) CS16 


Drum and batch transfers 

CS8 

Bulk transfers CS14 

Mixing operations (open 

systems) CS30 

Production or preparation 

or articles by tabletting, 

compression, extrusion or 

pelletisation CS100 

Drum and small package 

filling CS8 




Use drum pumps or carefully pour from container E64 Wear chemically 

resistant gloves (tested to EN374) in combination with ‘basic’ employee 

training PPE16 



Provide extract ventilation to points where emissions occur E54 Wear 

chemically resistant gloves (tested to EN374) in combination with ‘basic’ 

employee training PPE16 



Laboratory activities CS36 No other specific measures identified EI20 

Equipment clean down and Drain down system prior to equipment break-in or maintenance. E65. 

maintenance CS39 Wear chemically resistant gloves (tested to EN374) in combination with 


Storage CS67 







Amounts used 













Release fraction to air from process (after typical onsite RMMs, 1.0e-2 

consistent with EU Solvent Emissions Directive requirements) 


RMM) 










2010-07-30 CSR 121









[OMS3]. 



treatment (%) 













3.1. Health 


G21. 



model [EE2]. 


4.1. Health 















[DSU4]. 






2010-07-30 CSR 122


9.5. Uses of Gas Oils (vacuum, hydrocracked & distillate fuels) in 

Coatings R20, R38, R40, R65, R51/53 – Industrial 



R40, R65, R51/53 

Title 

Uses in Coatings 



Process Categories 1, 2, 3, 4, 5, 7, 8a, 8b, 10, 13, 15 






Covers the use in coatings (paints, inks, adhesives, etc) including exposures during use (including 

materials receipt, storage, preparation and transfer from bulk and semi-bulk, application by spray, 

roller, spreader, dip, flow, fluidised bed on production lines and film formation) and equipment 

cleaning, maintenance and associated laboratory activities. 










systems) CS15 


Material transfers; 

Drum/batch transfers; 

Transfer from/pouring from 

containers CS3, CS8, CS22 

Preparation of material for 

application; Mixing 

operations (open systems) 

CS96, CS30 

Film formation - force 

drying, stoving and other 

technologies CS99 

Film formation - air drying 

CS95 

Spraying 

(automatic/robotic) CS97 

Manual spraying CS24 

Roller, spreader, flow 

application. CS69 

Dipping, immersion and 

pouring. CS4 

Production of preparations 


compression, extrusion, 



Equipment clean down and 


which are likely to lead to substantial aerosol release, e.g. spraying. E4 







Handle substance within a closed system E47 Provide a good standard of 

general ventilation (not less than 3 to 5 air changes per hour) E11. 

Provide a good standard of general ventilation (not less than 3 to 5 air 

changes per hour) E11.Wear suitable gloves tested to EN374 PPE15 

Minimise exposure by partial enclosure of the operation or equipment and 

provide extract ventilation at openings E60 Wear suitable gloves tested to 

EN374 PPE15.Provide a good standard of general ventilation (not less 

than 3 to 5 air changes per hour) E11 

Wear a respirator conforming to EN140 with Type A/P2 filter or better. 

PPE29 Wear chemically resistant gloves (tested to type EN374) in 

combination with specific activity training PPE17 Ensure operatives are 

trained to minimise exposures EI19 Provide a good standard of general 

ventilation (not less than 3 to 5 air changes per hour) E11 


specific activity training PPE17 







Storage CS67 







Amounts used 



Fraction of Regional tonnage used locally 1 









2010-07-30 CSR 124



Release fraction to air from process (initial release prior to RMM) 0.98 


RMM) 

Release fraction to soil from process (initial release prior to RMM) 0 





Risk from environmental exposure is driven by humans via indirect exposure (primarily inhalation) 

[TCR1b]. 











[OMS3]. 



treatment (%) 













3.1. Health 


G21. 



model [EE2]. 


4.1. Health 









2010-07-30 CSR 125








[DSU4]. 



See Appendix 2.a. 



2010-07-30 CSR 126


9.6. Uses of Gas Oils (vacuum, hydrocracked & distillate fuels) 

R20, R38, R40, R65, R51/53 in Coatings – Professional 



R40, R65, R51/53 

Title 

Uses in Coatings 



Process Categories 1, 2, 3, 4, 5, 8a, 8b, 10, 11, 13, 15, 19 




8a, 8d 



Covers the use in coatings (paints, inks, adhesives, etc) including exposures during use (including 

materials receipt, storage, preparation and transfer from bulk and semi-bulk, application by spray, 

roller, brush, spreader by hand or similar methods, and film formation), and equipment cleaning, 

maintenance and associated laboratory activities. 










General exposures (closed Handle substance within a closed system E47 

systems) CS15 

Filling / preparation of Wear suitable gloves tested to EN374 PPE15 

equipment from drums or 

containers CS45 

Material transfers, Pumped Wear chemically resistant gloves (tested to EN374) in combination with 

Drum/batch transfers CS3, ‘basic’ employee training. PPE16 

CS8 

Preparation of material for No other specific measures identified EI20 

application; Mixing 

operations (closed systems) 

CS96, CS29 

Preparation of material for 

application, mixing 

operations (open systems) 

CS66,CS30 

Film formation - air drying 

CS95 

Manual spraying, indoor 

CS24, OC8 

Manual spraying, outdoor 

CS24, OC9 

Roller, spreader, flow 

application CS69 


pouring CS4 

Hand application - 

fingerpaints, pastels, 

adhesives CS72 





‘basic’ employee training PPE16 


Carry out in a vented booth or extracted enclosure E57 Wear suitable 

gloves tested to EN374 PPE15 Limit the substance content in the product 

to 25 % OC18 Provide a good standard of general ventilation (not less 

than 3 to 5 air changes per hour) E11 


PPE29 Wear chemically resistant gloves (tested to EN374) in 

combination with specific activity training PPE17 Limit the substance 

content in the product to 25 % OC18 Avoid carrying out activities 

involving exposure for more than 4 hours OC28 Ensure operatives are 

trained to minimise exposures EI19 


‘basic’ employee training PPE16 Limit the substance content in the 

product to 25 % OC18 


‘basic’ employee training PPE16. 


specific activity training PPE17 Limit the substance content in the product 

to 5 % OC17 


Drain down system prior to equipment break-in or maintenance E65 Wear 

chemically resistant gloves (tested to type EN374) in combination with 

basic employee training PPE16 

Storage CS67 

Store substance within a closed system E84 






Amounts used 




Annual site tonnage (tonnes/year) 1.2 

Maximum daily site tonnage (kg/day) 3.2 





2010-07-30 CSR 128






Release fraction to wastewater from process (initial release prior to 0.01 

RMM) 






Risk from environmental exposure is driven by humans via indirect exposure (primarily ingestion) 

[TCR1j]. 

No wastewater treatment required [TCR6]. 

Treat air emission to provide a typical removal efficiency of (%) N/A 






Do not apply industrial sludge to natural soils [OMS2]. Sludge should be incinerated, contained or 

reclaimed [OMS3]. 



treatment (%) 













3.1. Health 


G21. 



model [EE2]. 


4.1. Health 








2010-07-30 CSR 129









[DSU4]. 






2010-07-30 CSR 130



R20, R38, R40, R65, R51/53 in Oil and Gas Field Drilling and 

Production Operations – Industrial 



R40, R65, R51/53 

Title 

Use in Oil and Gas Field Drilling and Production Operations 



Process Categories 

1, 2, 3, 4, 8a, 8b 




Specific Environmental Release Category Qualitative assessment 


Oil field well drilling and production operations (including drilling muds and well cleaning) including 

material transfers, on-site formulation, well head operations, shaker room activities and related 

maintenance. 










Transfer via enclosed lines E52 

Filling / preparation of Wear suitable gloves tested to EN374 PPE15. 


containers. CS45 

Drilling mud (re-) 


formulation. CS115 

Drill floor operations CS116 Wear chemically resistant gloves (tested to EN374) in combination with 

Operation of solids filtering 

equipment CS117 Elevated 

temperature CS111 

Cleaning of solids filtering 

equipment CS120 

Cuttings treatment and 

disposal CS515 

Sample collection CS2 


systems) CS15 


systems) CS16 

Pouring from small 




Storage CS67 


Provide the operation with a properly sited receiving hood E71. 



Provide extract ventilation to points where emissions occur E54 















Amounts used 

Fraction of EU tonnage used in region [A1] 1 

Regional use tonnage (tonnes/year) [A2] 

7.75E+03 

Fraction of Regional tonnage used locally [A3] 

Not Applicable 

Annual site tonnage (tonnes/year) [A5] 


Maximum daily site tonnage (kg/day) [A4] 



Emission days (days/year) [FD4] 



Local marine water dilution factor [EF2] 



Release fraction to air from process (initial release prior to RMM) Not Applicable 

[OOC4] 

Release fraction to wastewater from process (initial release prior to Not Applicable 

RMM) [OOC5] 


Discharge to aquatic environment is restricted (see Section 4.2). 




Treat air emission to provide a typical removal efficiency of (%) [TCR7] Not Applicable 

Treat onsite wastewater (prior to receiving water discharge) to provide Not Applicable 


If discharging to domestic sewage treatment plant, provide the required Not Applicable 

2010-07-30 CSR 132




Prevent environmental discharge consistent with regulatory requirements. 


Estimated substance removal from wastewater via domestic sewage Not Applicable 

treatment (%) 

Total efficiency of removal from wastewater after onsite and offsite Not Applicable 


Maximum allowable site tonnage (M Safe ) based on domestic sewage Not Applicable 

treatment release (kg/d) 

Assumed domestic sewage treatment plant flow (m 3 /d) 



External treatment and disposal of waste should comply with applicable local and/or national 

regulations. 


External recovery and recycling of waste should comply with applicable local and/or national 

regulations. 



3.1. Health 


G21. 


Quantitative exposure and risk assessment not possible due to lack of emissions to aquatic 

environment. Qualitative approach used to conclude safe use. 


4.1. Health 









Discharge to aquatic environment is restricted by law and industry prohibits release. 1 

1 OSPAR Commission 2009. Discharges, Spills and Emissions from Offshore Oil and Gas Installations 

in 2007, including the assessment of data reported in 2006 and 2007. 






2010-07-30 CSR 133




Production Operations – Professional 



R40, R65, R51/53 

Title 

Use in Oil and Gas Field Drilling and Production Operations 




1, 2, 3, 4, 8a, 8b 




8d 

Specific Environmental Release Category Qualitative assessment 


Oil field well drilling operations (including drilling muds and well cleaning) including material transfers, 

on-site formulation, well head operations, shaker room activities and related maintenance. 









Filling / preparation of Wear suitable gloves tested to EN374 PPE15 


containers. CS45 

Drilling mud (re-) 


formulation. CS115 

Drill floor operations CS116 Wear chemically resistant gloves (tested to EN374) in combination with 

Operation of solids filtering 

equipment CS117 Elevated 

temperature CS111 

Cleaning of solids filtering 


Cuttings treatment and 

disposal CS515 

Sample collection CS2 


systems) CS15 


systems) CS16 





Storage CS67 


Provide the operation with a properly sited receiving hood E71. 



Provide extract ventilation to points where emissions occur E54 















Amounts used 

Fraction of EU tonnage used in region [A1] 1 

Regional use tonnage (tonnes/year) [A2] 

7.75E+03 

Fraction of Regional tonnage used locally [A3] 


Annual site tonnage (tonnes/year) [A5] 


Maximum daily site tonnage (kg/day) [A4] 



Emission days (days/year) [FD4] 



Local marine water dilution factor [EF2] 



Release fraction to air from process (initial release prior to RMM) Not Applicable 

[OOC4] 

Release fraction to wastewater from process (initial release prior to Not Applicable 

RMM) [OOC5] 


Discharge to aquatic environment is restricted (see Section 4.2). 




Treat air emission to provide a typical removal efficiency of (%) [TCR7] Not Applicable 

Treat onsite wastewater (prior to receiving water discharge) to provide Not Applicable 


If discharging to domestic sewage treatment plant, provide the required Not Applicable 


2010-07-30 CSR 135



Prevent environmental discharge consistent with regulatory requirements. 


Estimated substance removal from wastewater via domestic sewage Not Applicable 

treatment (%) 

Total efficiency of removal from wastewater after onsite and offsite Not Applicable 


Maximum allowable site tonnage (M Safe ) based on domestic sewage Not Applicable 

treatment release (kg/d) 

Assumed domestic sewage treatment plant flow (m 3 /d) 



External treatment and disposal of waste should comply with applicable local and/or national 

regulations. 


External recovery and recycling of waste should comply with applicable local and/or national 

regulations. 



3.1. Health 


G21. 


Quantitative exposure and risk assessment not possible due to lack of emissions to aquatic 

environment. Qualitative approach used to conclude safe use. 


4.1. Health 









Discharge to aquatic environment is restricted by law and industry prohibits release. 1 

1 OSPAR Commission 2009. Discharges, Spills and Emissions from Offshore Oil and Gas Installations 

in 2007, including the assessment of data reported in 2006 and 2007. 






2010-07-30 CSR 136



R20, R38, R40, R65, R51/53 in Lubricants – Industrial 



R40, R65, R51/53 

Title 

Lubricants 



Process Categories 1, 2, 3, 4, 7, 8a, 8b, 9, 10, 13, 17, 18 



Environmental Release Categories 4, 7 



Covers the use of formulated lubricants in closed and open systems including material transfers 

operations, operation of machinery/engines and similar articles, reworking on reject articles, equipment 

maintenance and disposal of wastes. 










General exposures (Closed Handle substance within a closed system E47. 

systems) CS15 

General exposures (Open Provide extract ventilation to points where emissions occur. E54 

systems) CS16 

Bulk transfers CS14 Handle substance within a closed system E47 Wear suitable gloves 


Filling preparation of Wear gloves tested to EN374 PPE15 



Initial factory fill of Wear suitable gloves tested to EN374 PPE15 


Operation and lubrication of Provide extract ventilation to points where emissions occur E54 Restrict 

high energy open 

area of openings to equipment E68 


Manual roller application or Wear suitable gloves tested to EN374 with specific employee training 

brushing CS13 

PPE17 

Treatment of articles by Wear chemically resistant gloves (tested to EN374) PPE15 

dipping and pouring CS35 

Spraying CS10 

Maintenance (of larger 

plant items) and machine 

set up CS77 

Minimise exposure by enclosing the operation or equipment and provide 

extract ventilation at openings E60 Wear suitable gloves tested to EN374, 

coveralls and eye protection PPE23 

Ensure material transfers are under containment or extract ventilation 

E66 Provide extract ventilation to emission points when contact with 

warm (>50oC) lubricant is likely E67 Wear suitable gloves tested to 

EN374 PPE15 





Maintenance of small items 

CS18 

Re-manufacture of reject 

articles CS19 

Storage CS67 







Amounts used 














5.0e-3 


RMM) 




2010-07-30 CSR 138





[TCR1j]. 










[OMS3]. 



treatment (%) 













3.1. Health 


G21. 



model [EE2]. 


4.1. Health 















[DSU4]. 

2010-07-30 CSR 139







2010-07-30 CSR 140



R20, R38, R40, R65, R51/53 in Lubricants – Professional: Low 

Environmental Release 



R40, R65, R51/53 

Title 

Lubricants – Professional: Low Environmental Release 



Process Categories 1, 2, 3, 4, 8a, 8b, 9, 13, 17, 20 




9a, 9b 




operations, operation of engines and similar articles, reworking on reject articles, equipment 

maintenance and disposal of waste oil. 










General exposures (Closed Handle substance within a closed system E47 PPE15 

systems) CS15 

Operation of equipment No other specific measures identified EI20 

containing engine oils and 

similar CS26 

General exposures (Open Provide a good standard of controlled ventilation (10 to 15 air changes 

systems) CS16 

per hour) E40 Wear suitable gloves tested to EN374 PPE15 

Bulk transfers CS14 Wear suitable gloves tested to EN374 PPE15 Avoid carrying out activities 

involving exposure for more than 4 hours OC28 

Filling preparation of Use drum pumps or carefully pour from container E64 Wear suitable 

equipment from drums or gloves tested to EN374 PPE15 

containers CS45; dedicated 

facility CS81 

Filling preparation of 


containers CS45; nondedicated 

facility CS82 

Operation and lubrication of 


equipment CS17 Indoor 

OC8 



equipment CS17 Outdoor 

OC9 



set up CS77 


CS18 

Engine lubricant service 

CS78 

Manual roller application or 

brushing CS13 

Spraying CS10 with local 

exhaust ventilation CS109 




provide extract ventilation at openings E60 Provide a good standard of 

general ventilation (not less than 3 to 5 air changes per hour) E11 

Ensure operation is undertaken outdoors E69 Avoid carrying out activities 

involving exposure for more than 4 hours OC28 Limit the substance 

content in the product to 25 % OC18 Wear suitable gloves tested to 

EN374 PPE15 Ensure operatives are trained to minimise exposures EI19 



warm (>50oC) lubricant is likely E67 Wear suitable gloves tested to 

EN374 PPE15 

Drain or remove substance from equipment prior to break-in or 

maintenance E81 Provide a good standard of general ventilation (not less 

than 3 to 5 air changes per hour) E11 Wear chemically resistant gloves 

(tested to EN374) in combination with ‘basic’ employee training PPE16 




specific activity training. PPE17 


extract ventilation at openings E60 Provide a good standard of general 

ventilation (not less than 3 to 5 air changes per hour) E11 Wear 


employee training PPE16 Ensure operatives are trained to minimise 

exposures EI19 

Spraying CS10 without 

local exhaust ventilation 

CS110 

Wear a full face respirator conforming to EN140 with Type A/P2 filter or 

better. PPE32. Wear chemically resistant gloves (tested to EN374) in 

combination with intensive management supervision controls. PPE18 

Limit the substance content in the product to 25 % OC18 Avoid carrying 

out activities involving exposure for more than 4 hours OC28 

Treatment of articles by Wear suitable gloves tested to EN374 PPE15 


Storage CS67 





2010-07-30 CSR 142




Amounts used 















RMM) 







[TCR1j]. 












treatment (%) 













3.1. Health 


G21. 


2010-07-30 CSR 143



model [EE2]. 


4.1. Health 















[DSU4]. 






2010-07-30 CSR 144



R20, R38, R40, R65, R51/53 in Lubricants – Professional: High 




R40, R65, R51/53 

Title 

Lubricants – Professional: High Environmental Release 



Process Categories 1, 2, 3, 4, 8a, 8b, 9, 13, 17, 20 




8a, 8d 

Specific Environmental Release Category ESVOC SpERC 8.6c.v1 



operations, operation of engines and similar articles, reworking on reject articles, equipment 

maintenance and disposal of waste oil. 










General exposures (Closed Handle substance within a closed system E47 PPE15 

systems) CS15 

Operation of equipment No other specific measures identified EI20 

containing engine oils and 

similar CS26 

General exposures (Open Provide a good standard of controlled ventilation (10 to 15 air changes 

systems) CS16 

per hour) E40 Wear suitable gloves tested to EN374 PPE15 

Bulk transfers CS14 Wear suitable gloves tested to EN374 PPE15 Avoid carrying out activities 

involving exposure for more than 4 hours OC28 

Filling preparation of Use drum pumps or carefully pour from container E64 Wear suitable 

equipment from drums or gloves tested to EN374 PPE15 

containers CS45; dedicated 

facility CS81 

Filling preparation of 


containers CS45; nondedicated 

facility CS82 



equipment CS17 Indoor 

OC8 



equipment CS17 Outdoor 

OC9 



set up CS77 


CS18 

Engine lubricant service 

CS78 

Manual roller application or 

brushing CS13 

Spraying CS10 




provide extract ventilation at openings E60 Provide a good standard of 

general ventilation (not less than 3 to 5 air changes per hour) E11 

Ensure operation is undertaken outdoors E69 Avoid carrying out activities 

involving exposure for more than 4 hours OC28 Limit the substance 

content in the product to 25 % OC18 Wear suitable gloves tested to 

EN374 PPE15 Ensure operatives are trained to minimise exposures EI19 



warm (>50oC) lubricant is likely) E67 Wear suitable gloves tested to 

EN374 PPE15 

Drain or remove substance from equipment prior to break-in or 

maintenance E81 Provide a good standard of general ventilation (not less 

than 3 to 5 air changes per hour) E11 Wear chemically resistant gloves 

(tested to EN374) in combination with ‘basic’ employee training PPE16 







ventilation (not less than 3 to 5 air changes per hour) E11 Wear 


employee training PPE16 Ensure operatives are trained to minimise 

exposures EI19 

If technical measures not practical: G16 


better. PPE32. Wear chemically resistant gloves (tested to EN374) in 

combination with intensive management supervision controls. PPE18 

Limit the substance content in the product to 25 % OC18 Avoid carrying 

out activities involving exposure for more than 4 hours OC28 

Treatment of articles by Wear suitable gloves tested to EN374 PPE15 


Storage CS67 







2010-07-30 CSR 146


Amounts used 














1.5e-1 


RMM) 







[TCR1j]. 












treatment (%) 













3.1. Health 


G21. 



model [EE2]. 


2010-07-30 CSR 147


4.1. Health 















[DSU4]. 






2010-07-30 CSR 148



R20, R38, R40, R65, R51/53 in Metal Working Fluids/Rolling Oils – 

Industrial 



R40, R65, R51/53 

Title 

Use in Metal Working Fluids/Rolling Oils 



Process Categories 1, 2, 3, 4, 5, 7, 8a, 8b, 9, 10, 13, 17 






Covers the use in formulated MWFs/rolling oils including transfer operations, rolling and annealing 

activities, cutting/machining activities, automated and manual application of corrosion protections 

(including brushing, dipping and spraying), equipment maintenance, draining and disposal of waste 

oils. 









suits and face shields may be required during high dispersion activities 


General exposures (Closed Handle substance within a closed system E47 

systems) CS15 

General exposures (Open Provide extract ventilation to points where emissions occur E54 

systems) CS16 

Bulk transfers CS14 Handle substance within a closed system. E47 Wear gloves tested to 

EN374 PPE15 

Filling preparation of Wear gloves tested to EN374 PPE15 



Process sampling CS2 No other specific measures identified EI20 

Metal Machining 


Operations CS79 

provide extract ventilation at openings E60 

Treatment of articles by Wear gloves tested to EN374 PPE15 


Spraying CS10 



ventilation (not less than 3 to 5 air changes per hour) .E11 Wear gloves 

tested to EN374, coveralls and eye protection PPE23 

Manual roller application or Wear suitable gloves tested to EN374 with specific employee training 

brushing CS13 

PPE17 

Automated metal 

Handle substance within a predominantly closed system provided with 

rolling/forming CS80 extract ventilation E49 

Semi-automated metal Provide extract ventilation to points where emissions occur E54. 

rolling/forming CS83 

Equipment cleaning and Drain down system prior to equipment break-in or maintenance E55 Wear 

maintenance CS39. chemically resistant gloves (tested to EN374) in combination with ‘basic’ 


Storage CS67 







Amounts used 















RMM) 




2010-07-30 CSR 150





[TCR1j]. 










[OMS3]. 



treatment (%) 













3.1. Health 


G21. 



model [EE2]. 


4.1. Health 















[DSU4]. 

2010-07-30 CSR 151







2010-07-30 CSR 152



R20, R38, R40, R65, R51/53 in Release Agents or Binders – 

Industrial 



R40, R65, R51/53 

Title 

Use as Release Agents or Binders 



Process Categories 1, 2, 3, 4, 6, 7, 8b, 10, 13, 14 






Covers the use as binders and release agents including material transfers, mixing, application 

(including spraying and brushing), mould forming and casting, and handling of waste. 











CS8 

Mixing operations (closed 

systems) CS29 


systems) CS30 

Mould forming CS31 









Casting Operations (open Minimise exposure by partial enclosure of the operation or equipment and 

systems) CS32, CS108 provide extract ventilation at openings E60 Wear suitable gloves tested to 

EN374 PPE15 

Spraying (machine) CS10, Minimise exposure by extracted full enclosure for the operation or 

CS33 

equipment E61 Wear suitable gloves tested to EN374 PPE15 

Spraying (manual) CS10, Wear a full face respirator conforming to EN140 with Type A/P2 filter or 

CS34 

better. PPE32 Wear suitable gloves (tested to EN374), coverall and eye 

protection. PPE23 Ensure operatives are trained to minimise exposures. 

EI19 

Manual applications e.g. Wear chemically resistant gloves (tested to EN374) in combination with 

brushing, rolling CS13 specific activity training PPE17 




Storage CS67 







Amounts used 















RMM) 






Risk from environmental exposure is driven by humans via indirect exposure (primarily inhalation) 

[TCR1k]. 




2010-07-30 CSR 154








[OMS3]. 



treatment (%) 













3.1. Health 


G21. 



model [EE2]. 


4.1. Health 















[DSU4]. 






2010-07-30 CSR 155



R20, R38, R40, R65, R51/53 in Release Agents or Binders – 

Professional 



R40, R65, R51/53 

Title 

Use as Release Agents or Binders 



Process Categories 1, 2, 3, 4, 6, 8a, 8b, 10, 11, 14 




8a, 8d 



Covers the use as binders and release agents including material transfers, mixing, application by 

spraying, brushing, and handling of waste. 









Bulk transfers (closed 

systems) CS3, CS107 

Drum/batch transfers CS8 

Mixing operations (closed 

systems) CS29 


systems) CS30 

Mould forming CS31 

Casting Operations, with 


CS32, CS109 

Casting Operations, without 


CS32, CS110 

Spraying (manual) CS10, 

CS34 with local exhaust 

ventilation CS109 

Spraying (manual) CS10, 

CS34 without local exhaust 

ventilation CS110 

Manual applications e.g. 

brushing, rolling CS34, 

CS51 








suitable gloves tested to EN374 PPE15 


suitable gloves tested to EN374 PPE15 


PPE29 Wear suitable gloves (tested to EN374), coverall and eye 

protection. PPE23 

Apply ventilation or undertake in ventilated enclosure E57 Wear suitable 

gloves (tested to EN374), coverall and eye protection PPE23 Ensure 

operatives are trained to minimise exposures EI19 


better.PPE32 Wear suitable gloves (tested to EN374), coverall and eye 

protection. PPE23 Ensure operatives are trained to minimise exposures. 

EI19 





basic employee training PPE16 

Storage CS67 







Amounts used 















RMM) 




2010-07-30 CSR 157





[TCR1j]. 












treatment (%) 













3.1. Health 


G21. 



model [EE2]. 


4.1. Health 















[DSU4]. 

2010-07-30 CSR 158







2010-07-30 CSR 159



R20, R38, R40, R65, R51/53 as a Fuel – Industrial 



R40, R65, R51/53 

Title 

Use as a Fuel 



Process Categories 1, 2, 3, 8a, 8b, 16 






Covers the use as a fuel (or fuel additives and additive components) and includes activities associated 

with its transfer, use, equipment maintenance and handling of waste. 









Use as a fuel (closed 

systems) GEST_12I, 

CS107 







Storage CS67 







Amounts used 














5.0e-3 


RMM) 











If discharging to domestic sewage treatment plant, provide the required 60.4 





[OMS3]. 



treatment (%) 







2010-07-30 CSR 161


Combustion emissions limited by required exhaust emission controls [ETW1]. Combustion emissions 

considered in regional exposure assessment [ETW2]. 






3.1. Health 


G21. 



model [EE2]. 


4.1. Health 















[DSU4]. 






2010-07-30 CSR 162



R20, R38, R40, R65, R51/53 as a Fuel – Professional 



R40, R65, R51/53 

Title 

Use as a Fuel 



Process Categories 1, 2, 3, 8a, 8b, 16 




9a, 9b 



Covers the use as a fuel (or fuel additives and additive components) and includes activities associated 

with its transfer, use, equipment maintenance and handling of waste. 









Refuelling activities CS507 Wear suitable gloves tested to EN374 PPE15 

Use as a fuel (closed 

systems) GEST_12I, 

CS107 



Provide a good standard of general ventilation (not less than 3 to 5 air 

changes per hour) E11 or Ensure operation is undertaken outdoors E69 


chemically resistant gloves (tested to EN374) in combination with basic 


Storage CS67 







Amounts used 














1.0e-4 


RMM) 







[TCR1j]. 










[OMS3]. 



treatment (%) 

Total efficiency of removal from wastewater after onsite and offsite 


Maximum allowable site tonnage (M Safe ) based on release following total 


94.1 

94.1 

1.4e5 

2010-07-30 CSR 164











3.1. Health 


G21. 



model [EE2]. 


4.1. Health 















[DSU4]. 






2010-07-30 CSR 165



R20, R38, R40, R65, R51/53 as a Fuel – Consumer 



R40, R65, R51/53 

Title 

Use as a Fuel 



Product Categories 13 


PC codes is contained in Table 9.1 


9a, 9b 

Specific Environmental Release Category ESVOC SpERC 9.12c.v1 


Covers consumer uses in fuels. 




Section 2.1 Control of consumer exposure 


Physical form of product liquid 

Vapour pressure (kPa) Liquid, vapour pressure > 10 Pa OC15 

Concentration of substance Unless otherwise stated, cover concentrations up to 100% [ConsOC1] 

in product 

Frequency and duration of Unless otherwise stated, covers use amounts up to 37500g [ConsOC2]; 

use/exposure 

covers skin contact area up to 420cm2 [ConsOC5] 

Other Operational Unless otherwise stated, covers use frequency up to 0.143 times per day 

Conditions affecting [ConsOC4]; covers exposure up to 2 hours per event [ConsOC14] 

exposure 

Product Category Specific Risk Management Measures and Operating Conditions 

PC13:Fuels-- 

Liquid - 

subcategorie 

s added: 

Automotive 

Refuelling 

PC13:Fuels-- 

Liquid - 

subcategorie 

s added: 

Garden 

Equipment - 

Use 

OC 

RMM 

OC 

RMM 

Unless otherwise stated, covers concentrations up to 100% [ConsOC1]; 

covers use up to 52 days/year[ConsOC3]; covers use up to 1 time/on day 

of use[ConsOC4]; covers skin contact area up to 210.00 cm2 [ConsOC5]; 

for each use event, covers use amounts up to 37500g [ConsOC2]; covers 

outdoor use [ConsOC12]; covers use in room size of 100m3[ConsOC11]; 

for each use event, covers exposure up to 0.05hr/event[ConsOC14]; 

No specific RMMs developed beyond those OCs stated [ConsRMM15] 



of use[ConsOC4]; for each use event, covers use amounts up to 750g 

[ConsOC2]; covers outdoor use [ConsOC12]; covers use in room size of 

100m3[ConsOC11]; for each use event, covers exposure up to 

2.00hr/event[ConsOC14]; 


PC13:Fuels-- OC 

Liquid 

(subcategorie 

s added): 

Garden 



of use[ConsOC4]; covers skin contact area up to 420.00 cm2 [ConsOC5]; 

for each use event, covers use amounts up to 750g [ConsOC2]; Covers 

use in a one car garage (34m3) under typical ventilation [ConsOC10]; 

2010-07-30 CSR 166


Equipment - 

Refuelling 

RMM 

covers use in room size of 34m3[ConsOC11]; for each use event, covers 

exposure up to 0.03hr/event[ConsOC14]; 







Amounts used 














[TCR1j]. 

Release fraction to air from wide dispersive use (regional only) 1.0e-4 

Release fraction to wastewater from wide dispersive use 0.00001 

Release fraction to soil from wide dispersive use (regional only) 0.00001 



treatment (%) 












3.1. Health 

The ECETOC TRA tool has been used to estimate consumer exposures, consistent with the content of 

ECETOC Report #107 and the Chapter R15 of the IR&CSA TGD. Where exposure determinants differ 

to these sources, then they are indicated. 



model [EE2]. 


4.1. Health 





2010-07-30 CSR 167



Further details on scaling and control technologies are provided in SpERC factsheet 

(http://cefic.org/en/reach-for-industries-libraries.html) [DSU4]. 



See Appendix 2.c 



2010-07-30 CSR 168



R20, R38, R40, R65, R51/53 as Functional Fluids – Industrial 



R40, R65, R51/53 

Title 

Use as Functional Fluids 









Use as functional fluids e.g. cable oils, transfer oils, coolants, insulators, refrigerants, hydraulic fluids 

in industrial equipment including maintenance and related material transfers 









Filling of articles/equipment 

(closed systems) CS84, 

CS107 

Filling / preparation of 



Equipment operation 

(closed systems) CS15 

Equipment operation (open 

systems) CS16 

Re-work and remanufacture 

of articles 

CS19 

Transfer via enclosed lines E52 



Restrict area of openings and provide extract ventilation to emission 

points when substance handled at elevated temperatures E75 


Equipment cleaning and Wear chemically resistant gloves (tested to EN374) in combination with 

maintenance CS39 ‘basic’ employee training. PPE16 

Storage CS67 







Amounts used 














5.0e-3 


RMM) 






Risk from environmental exposure is driven by humans via indirect exposure (primarily injestion) 

[TCR1j]. 










[OMS3]. 


2010-07-30 CSR 170



treatment (%) 













3.1. Health 


G21. 



model [EE2]. 


4.1. Health 















[DSU4]. 






2010-07-30 CSR 171



R20, R38, R40, R65, R51/53 in Road and Construction 

Applications – Professional 



R40, R65, R51/53 

Title 

Use in Road and Construction Applications 



Process Categories 8a, 8b, 9, 10, 11, 13 




8d, 8f 



Application of surface coatings and binders in road and construction activities, including paving uses, 

manual mastic and in the application of roofing and water-proofing membranes 









Drum/batch transfers (Nondedicated 

facility) CS8, 

CS82 

Drum/batch transfers 

(dedicated facility) CS8, 

CS81 

Spraying/fogging by 

machine application CS25 

Manual applications e.g. 

brushing, rolling CS13 


pouring CS4 



Wear gloves tested to EN374 PPE15 



provide extract ventilation at openings E60 Ensure operation is 

undertaken outdoors E69 Wear gloves tested to EN374 PPE15 





Drain down system prior to equipment break-in or maintenance. 

E65.Wear chemically resistant gloves (tested to EN374) in combination 

with ‘basic’ employee training PPE16 


Store substance within a 

closed system. E84 






Amounts used 















RMM) 

















2010-07-30 CSR 173



treatment (%) 













3.1. Health 


G21. 



model [EE2]. 


4.1. Health 















[DSU4]. 






2010-07-30 CSR 174



R20, R38, R40, R65, R51/53 in Explosives Manufacture and Use – 

Professional 



R40, R65, R51/53 

Title 

Explosives Manufacture and Use 




1, 3, 5, 8a, 8b 




8e 

Specific Environmental Release Category Not Applicable 


Covers exposures arising from the manufacture and use of slurry explosives (including materials 

transfer, mixing and charging) and equipment cleaning 










systems) CS16 



CS8 



systems) CS30 

Production or preparation 


compression, extrusion or 


Drum and small package 

filling CS8 


No specific measures identified EI18 

Use drum pumps or carefully pour from container E64 Wear chemically 

resistant gloves (tested to EN374) in combination with ‘basic’ employee 

training PPE16 








Laboratory activities CS36 No specific measures identified EI18 




Storage CS67 







Amounts used 















RMM) 













2010-07-30 CSR 176







treatment (%) 













3.1. Health 


G21. 



model [EE2]. 


4.1. Health 













technologies, either alone or in combination [DSU3]. 






2010-07-30 CSR 177



R20, R38, R40, R65, R51/53 in Rubber Production and Processing 

– Industrial 



R40, R65, R51/53 

Title 

Rubber Production and Processing 



Process Categories 1, 2, 3, 4, 5, 6, 7, 8a, 8b, 9, 13, 14, 15, 21 




1, 4, 6d 



Manufacture of tyres and general rubber articles, including processing of raw (uncured) rubber, 

handling and mixing of rubber additives, calendaring, vulcanising, cooling and finishing as well as 

maintenance 









exposure 





CS135 



















that may develop. E3 Other skin protection measures such as impervious 

suits and face shields may be required during high dispersion activities 

2010-07-30 CSR 178



Bulk transfers (closed No other specific measures identified EI20 


Bulk transfers (open Wear suitable gloves tested to EN374 PPE15 


Material transfers CS3 Wear suitable gloves tested to EN374. PPE15 

Bulk weighing CS91 Wear suitable gloves tested to EN374.PPE15 No other specific measures 

identified EI20 

Small scale weighing CS90 Wear suitable gloves tested to EN374 PPE15 

Additive pre-mixing CS92 Wear suitable gloves tested to EN374.PPE15 

Calendaring (including Handle substance within a predominantly closed system provided with 

Banburys) CS64 

extract ventilation E49 Wear suitable gloves tested to EN374 PPE15 

Pressing uncured rubber Wear suitable gloves tested to EN374 PPE15 

blanks CS73 

Tyre build-up CS112 Minimise exposure by extracted full enclosure for the operation or 

equipment E61 Wear suitable gloves (tested to EN374), coverall and eye 

protection PPE23 

Vulcanisation CS70 Provide extract ventilation to material transfer points and other openings 

E82 

Cooling cured articles CS71 Minimise exposure by partial enclosure of the operation or equipment and 

provide extract ventilation at openings E60 

Production of articles by Wear suitable gloves tested to EN374 PPE15 


Finishing operations CS102 Wear suitable gloves tested to EN374 PPE15 

Laboratory activities CS36 No other specific measures identified EI20 

Equipment clean down and Drain or remove substance from equipment prior to break-in or 

maintenance CS39 maintenance E81 Wear chemically resistant gloves (tested to type 

EN374) in combination with ‘basic’ employee training PPE16 

Storage CS67 







Amounts used 



Fraction of Regional tonnage used locally 1 












RMM) 






2010-07-30 CSR 179












[OMS3]. 



treatment (%) 













3.1. Health 


G21. 



model [EE2]. 


4.1. Health 















[DSU4]. 

2010-07-30 CSR 180







9.22. Regional Environment Exposure Estimation 

See PETRORISK file in IUCLID section 13 – “RegionalCSR” worksheet 

2010-07-30 CSR 181


10. RISK CHARACTERISATION 

10.1. Manufacture of Gas Oils (vacuum, hydrocracked & distillate 


10.1.1. Human Health 

See Appendix 3.a. and 3.b. 

10.1.2. Environment 



R20, R38, R40, R65, R51/53 as Intermediate – Industrial 





10.3. Distribution of Gas Oils (vacuum, hydrocracked & distillate 






10.4. Formulation & (Re)packing of Gas Oils (vacuum, 

hydrocracked & distillate fuels) R20, R38, R40, R65, R51/53 – 

Industrial 






R20, R38, R40, R65, R51/53 in Coatings – Industrial 





2010-07-30 CSR 182



R20, R38, R40, R65, R51/53 in Coatings – Professional 







Production Operations – Industrial 







Production Operations – Professional 






R20, R38, R40, R65, R51/53 in Lubricants – Industrial 






R20, R38, R40, R65, R51/53 Lubricants – Professional: Low 







R20, R38, R40, R65, R51/53 in Lubricants – Professional: High 

2010-07-30 CSR 183








R20, R38, R40, R65, R51/53 in Metal Working Fluids/Rolling Oils – 

Industrial 






R20, R38, R40, R65, R51/53 as Release Agents or Binders – 

Industrial 






R20, R38, R40, R65, R51/53 as Release Agents or Binders – 

Professional 






R20, R38, R40, R65, R51/53 as a Fuel – Industrial 






R20, R38, R40, R65, R51/53 as a Fuel – Professional 

2010-07-30 CSR 184







R20, R38, R40, R65, R51/53 as a Fuel – Consumer 


See Appendix 3.c. 




R20, R38, R40, R65, R51/53 as Functional Fluids – Industrial 






R20, R38, R40, R65, R51/53 in Road and Construction 

Applications – Professional 






R20, R38, R40, R65, R51/53 in Explosives Manufacture and Use – 

Professional 






R20, R38, R40, R65, R51/53 in Rubber Production and 

Processing – Industrial 


2010-07-30 CSR 185





10.22. Overall exposure (combined for all relevant 

emission/release sources) 

10.22.1. Human health (combined for all exposure routes) 

See Appendix 3a, 3b & 3c. 

10.22.2. Environment (combined for all exposure routes) 

Combined exposures can be calculated with information provided on the individual exposure 

scenarios presented in section 9. However, it is unclear how to define risk management measures 

resulting from this analysis. 

10.23. Regional Environment 


2010-07-30 CSR 186


REFERENCES 

Anderson, J. Neff, J. Cox, B. Tatem, H and Hightower, G (1974). Characteristics of dispersions and 

water-soluble extracts of crude and refined oils and their toxicity to estuarine crustaceans and fish. 

Marine Biology 27, 75-88. 

Anon (2003). High production volume (HPV) chemical challenge program. Test plan Gas Oils 

Category. American Petroleum Institute. Report no.: 201-14835. 

API (1978). Mutagenicity evaluation of diesel fuel. Testing laboratory: Litton Bionetics Inc. American 

Petroleum Institute. Med. Res. Pub. 26-60102 

API (1979). In-vitro and in-vivo mutagenicity studies No. 2 Home heating oil sample API 78-4 API 

Report No. 27-30140 

API (1979a). Teratology study in rats, diesel fuel, final report. Testing laboratory: Litton Bionetics, Inc. 

Kensington, Maryland. Report no.: 20698-11. Owner company: American Petroleum Institute, 

Washington, D. C. Study number: 27-32174. Report date: 1979-03-21. 

API (1979b). Inhalation/teratology study in rats- fuel oil. Testing laboratory: Litton Bionetics, Inc, 

Kensington, Maryland. Report no.: 21035-03. Owner company: American Petroleum Institute, 

Washington DC. Study number: 27-30483. Report date: 1979-09-17. 

API (1980aa). Acute toxicity tests. API 78-2 (No. 2 Home heating oil (30% cat)). Primary dermal 

irritation. Primary eye irritation. Skin sensitization. Acute dermal toxicity. Acute oral toxicity. Subacute 

dermal toxicity. Testing laboratory: Elars Bioresearch Laboratories Inc. Owner company: American 

Petroleum Institute. Report No. 27-32771. 

API (1980bb). Acute toxicity tests. API 78-3 (No. 2 Home heating oil (10% cat)). Primary dermal 

irritation. Primary eye irritation. Skin sensitization. Acute dermal toxicity. Acute oral toxicity. Subacute 

dermal toxicity. Testing laboratory: Elars Bioresearch Laboratories Inc. Owner company: American 

Petroleum Institute. Report No. 27-32773. 

API (1980cc). Mutagenicity evaluation of diesel fuel in the mouse dominant lethal assay. API Medical 

research publication 28-31346 

API (1980a). Acute Toxicity Tests API #78-4 #2 home heating oil (50% cat). Testing laboratory: Elars 

Bioresearch Laboratory, Fort Collins, CO. Report no.: 27-32068. Owner company: American 

Petroleum Institute, Washington DC. Study number: 1443. Report date: 1980-07-17. 

API (1980b). Acute Toxicity Tests API #79-6 diesel fuel (marketplace sample). Testing laboratory: 

Elars Bioresearch Laboratories, Inc., Fort Collins, CO. Report no.: 27-32817. Owner company: 

American Petroleum Institute, Washington DC. Study number: 1443. Report date: 1980-09-02. 

API (1982a). Acute oral toxicity study in rats. Acute dermal toxicity study in rabbits. Primary dermal 

irritation study in rabbits. Primary eye irritation study in rabbits. API 81-09 (Hydrodesulphurised Middle 

Distillate). Testing laboratory: Hazleton Raltech Inc. Owner company: American Petroleum Institute. 

Report No. 30-32347. 

API (1982b). Acute oral toxicity study in rats. Acute dermal toxicity study in rabbits. Primary dermal 

irritation study in rabbits. Primary eye irritation study in rabbits. API 81-09 (Hydrodesulphurised Middle 

Distillate). Testing laboratory: Hazleton Raltech Inc. Owner company: American Petroleum Institute. 

Report No. 30-32348. 

API (1983c). 28-day dermal toxicity study in the rabbit. API 81-09 (Hydrodesulphurised Middle 

Distillate). Testing laboratory: Borriston Laboratories Inc. Owner company: American Petroleum 

Institute. Report No. 30-32298. 

API (1983d). 28-day dermal toxicity study in the rabbit. API 81-10 (Hydrodesulphurised Middle 

Distillate. Testing laboratory: Borriston Laboratories Inc. Owner company: American Petroleum 

2010-07-30 CSR 187



API (1983a). LC50 acute inhalation toxicity evaluation of a petroleum-derived hydrocarbon in rats. API 

81-09 (Hydrodesulphurised Middle Distillate). Testing laboratory: International Research and 

Development Corporation. Owner company: American Petroleum Institute. Report No. 30-32856. 

API (1983b). LC50 acute inhalation toxicity evaluation of a petroleum-derived hydrocarbon in rats. API 

81-10 (Hydrodesulphurised Middle Distillate). Testing laboratory: International Research and 

Development Corporation. Owner company: American Petroleum Institute. Report No. 30-32857. 

API (1984a). Dermal sensitisation study in guinea pigs, closed patch technique. API 81-09 

(Hydrodesulphurised Middle Distillate). Testing laboratory: Hazleton Laboratories America Inc. Owner 

company: American Petroleum Institute. Report No. 31-31352. 

API (1984b). Dermal sensitisation study in guinea pigs, closed patch technique. API 81-10 

(Hydrodesulphurised Middle Distillate). Testing laboratory: Hazleton Laboratories America Inc. Owner 

company: American Petroleum Institute. Report No. 31-31414. 

API (1984c). Mutagenicity evaluation in the rat bone marrow cytogenetic assay and the mouse 

lymphoma forward mutation assay, API 81-10 (Hydrodesulphurised Middle Distillate. Testing 

laboratory: Litton Bionetics. Owner company: American Petroleum Institute. Report No. 32-30535. 

API (1985a). Acute in vivo cytogenetics assay in male and female rats. Testing laboratory: 

Microbiological Associates, Inc., Bethesda, Maryland. Report no.: T2419.105001. Owner company: 

American Petroleum Institute. Study number: 32-32408. Report date: 1985-05-30. 

API (1985b). Acute toxicity studies: hydrodesulphurized middle distillate, Sample 81-09. Testing 

laboratory: Hazleton Raltech. Owner company: American Petroleum Institute. Report No. 30-32347. 

API (1985c). Acute toxicity studies: Hydrodesulphurized Middle Distillate, Sample 81-10. Testing 

laboratory: Hazleton Raltech. Owner company: American Petroleum Institute. Report No. 30-32348. 

API (1985d). Mutagenicity evaluation study in the rat bone marrow cytogenetic assay and the mouse 

lymphoma forward mutation assay. API 81-09 (Hydrodesulphurised Middle Distillate). Testing 

laboratory: Litton Bionetics. Owner company: American Petroleum Institute. Report No. 32-30965. 

API (1986a). Four week subchronic inhalation toxicity study in rats. Final report. API 81-07 

hydrodesulfurized kerosine (petroleum) (CAS 64742-81-0). API 81-09 hydrodesulfurized middle 

distillate (petroleum) (CAS 64742-80-9). API 81-10 hydrodesulfurized middle distillate (petroleum) 

(CAS 64742-80-9). American Petroleum Institute HESD Pub. 33-32724. 

API (1986b). Mutagenicity in a mouse lymphoma mutation assay, API 81-10, hydrodesulphurised 

middle distillate, CAS No. 64742-80-9. Testing laboratory: Litton Bionetics, Kensington, Maryland. 

Report no.: 20989. Owner company: American Petroleum Institute, Washington, DC. Study number: 

33-31224. 

API (1987a). Mutagenicity of API 81-10 (ARO aromatic fraction of Hydrodesulphurised Middle 

Distillate), CAS No. 64742-80-9, (coded as API 86-10 ARO), in a mouse lymphoma mutation assay. 

Testing laboratory: Hazleton Biotechnologies Company. Owner company: American Petroleum 


API (1987b). Mutagenicity of API 81-10 (Hydrodesulphurised Middle Distillate), CAS No. 64742-80-9 

(coded as 86-10), in a mouse lymphoma mutation assay. Testing laboratory: Hazleton Laboratories 

America Inc. Owner company: American Petroleum Institute. Report No. 34-32643. 

API (1987c). Mutagenicity of API 81-10 SAT saturated fraction of Hydrodesulphurised Middle 

Distillate, CAS No. 64742-80-9 (coded as API 86-10 SAT), in a mouse lymphoma mutation assay. 

Testing laboratory: Hazelton Biotechnologies Company. Owner company: American Petroleum 


API (1988). Sister chromatid exchange assay in chinese hamster ovary (CHO) cells. Testing 

laboratory: Microbiological Associates, Inc., Bethesda, Maryland. Report no.: T5338.334006. Owner 

2010-07-30 CSR 188


company: American Petroleum Institute, Washington D. C. Study number: 35-32433. 

API (1989). Lifetime dermal carcinogenesis/chronic toxicity screening bioassay of refinery streams in 

C3H/HeJ mice (AP-135R = (API 81-09 and API 81-10 and API 83-02)). Testing laboratory: Primate 

Research Institute, New Mexico State University. Owner company: American Petroleum Institute. 

Report No. 36-31364. 

ARCO (1973). Acute oral toxicity study in albino rats. Testing laboratory: Biotest Laboratories, 

Northbrook, Illinois. Owner company: ARCO, Los Angeles. Study number: 73-0095. 

ARCO (1985). Acute oral toxicity study in rats administered naval distillate. Testing laboratory: UBTL, 

Salt Lake City, Utah. Owner company: ARCO, Los Angeles, CA. Study number: 85-0144. 

ARCO (1986a). Acute Dermal Toxicity Study in Rabbits Administered with Test Article F-91-01. 

Testing laboratory: Utah Biomedical Test Laboratory, Salt Lake City, Utah. Report no.: 62769. Owner 

company: ARCO, Los Angeles, CA. Study number: ATX-86-0056. Report date: 1986-11-03. 

ARCO (1986b). Primary dermal irritation study in rabbits administered cherry point diesel fuel number 

two. Testing laboratory: UBTL, Salt Lake City, Utah. Report no.: 60579. Owner company: ARCO, Los 

Angeles, CA. Study number: ATX-85-0161. Report date: 1986-12-18. 

ARCO (1986c). Primary dermal irritation study in rabbits administered naval distillate. Testing 

laboratory: UBTL, Salt Lake City, Utah. Report no.: 60576. Owner company: ARCO, Los Angeles, CA. 

Study number: ATX-85-0146. Report date: 1986-12-18. 

ARCO (1986d). Primary Eye Irritation Study in Rabbits Administered Cherry Point Diesel Fuel Number 

Two. Testing laboratory: Utah Biomedical Test Laboratory, Salt Lake City, Utah. Report no.: 60594. 

Owner company: Atlantic Richfield Company (ARCO). Study number: ATX-85-0162. Report date: 

1986-12-18. 

ARCO (1986e). Primary Eye Irritation Study in Rabbits Administered Test Substance F-71-01. Testing 

laboratory: Utah Biomedical Test Laboratory, Salt Lake City, Utah. Report no.: 60590. Owner 


ARCO (1986f). Primary Eye Irritation in Rabbits Administered Naval Distillate. Testing laboratory: 

Utah Biomedical Test Laboratory, Salt Lake City, Utah. Report no.: 60591. Owner company: Atlantic 

Richfield Corporation (ARCO). Study number: ATX-85-0147. Report date: 1986-11-18. 

ARCO (1986g). Dermal sensitization study in guinea pigs administered cherry point diesel fuel 

number two. Testing laboratory: UBTL, Salt Lake City, Utah. Report no.: 60624. Owner company: 

ARCO, Los Angeles, CA. Study number: ATX-86-0163. Report date: 1986-12-30. 

ARCO (1986h). Dermal sensitization study in guinea pigs administered Watson diesel fuel number 

two. Testing laboratory: UBTL, Salt Lake City, Utah. Report no.: 60620. Owner company: ARCO, Los 


ARCO (1986i). Dermal sensitization study in guinea pigs administered naval distillate. Testing 

laboratory: UBTL, Salt Lake City, Utah. Report no.: 60621. Owner company: ARCO. Study number: 

ATX-85-0148. Report date: 1986-12-30. 

ARCO (1986j). Twenty-eight day dermal toxicity study in rats on Watson Cherry Point Diesel Fuel 

Number 2. Testing laboratory: UBTL, Inc. Salt Lake City, Utah. Report no.: 60764. Owner company: 


ARCO (1986k). 28 Day Dermal Toxicity Study in Rats Administered Test Article F-72-01. Testing 



ARCO (1986l). Twenty-eight day dermal toxicity study in rats on Watson Diesel Fuel Number 2. 

Testing laboratory: UBTL, Inc. Salt Lake City, Utah. Report no.: 60763. Owner company: ARCO, Los 


2010-07-30 CSR 189


ARCO (1987a). Acute oral toxicity in rats administered test article F-91-01. Testing laboratory: UBTL, 

Inc., Salt Lake City, Utah. Report no.: 86-0055. Owner company: ARCO, Los Angeles, CA. Study 

number: 62762. Report date: 1987-09-15. 

ARCO (1987b). Acute oral toxicity study in rats administered watson diesel fuel number two. Testing 

laboratory: UBTL, Salt Lake City, Utah. Owner company: ARCO, Los Angeles, CA. Study number: 85- 

0139. Report date: 1986-02-04. 

ARCO (1987c). Acute oral toxicity study in rats administered cherry point diesel fuel number two. 

Testing laboratory: UBTL, Inc., Salt Lake City, Utah. Owner company: ARCO, Los Angeles, CA. Study 

number: 85-0159. Report date: 1986-10-24. 

ARCO (1987d). Acute oral toxicity study in rats administered test article F-55-01. Testing laboratory: 

Mideco, Inc., Salt Lake City, Utah. Owner company: ARCO, Los Angeles, CA. Study number: 84- 

0078. Report date: 1987-03-26. 

ARCO (1987e). Acute inhalation toxicity study in rats administered cherry point diesel fuel number 

two. Testing laboratory: Bio/dynamics, East Millstone, New Jersey. Report no.: 85-7871A. Owner 


ARCO (1987f). Acute Dermal Toxicity Study in Rabbits Administered Cherry Point Diesel Fuel 

Number 2. Testing laboratory: Utah Biomedical Test Laboratory, Salt Lake City, Utah. Report no.: 

60564. Owner company: ARCO, Los Angeles, CA. Study number: ATX-86-0160. Report date: 1987- 

01-20. 

ARCO (1987g). Acute Dermal Toxicity Study in Rabbits Administered Watson Diesel Fuel Number 2. 



ARCO (1987h). Acute Dermal Toxicity Study in Rabbits Administered F-55-01. Testing laboratory: 

MIDECO, Inc., Salt Lake City, Utah. Report no.: 55937. Owner company: ARCO, Los Angeles, CA. 


ARCO (1987i). Acute Dermal Toxicity Study in Rabbits Administered Test Material F-72-01 Naval 

Distillate. Testing laboratory: Utah Biomedical Test Laboratory, Salt Lake City, Utah. Report no.: 


01-20. 

ARCO (1987j). Primary dermal irritation study in rabbits administered test article F-71-01. Testing 



ARCO (1987k). Primary dermal irritation study with F-55-01. Testing laboratory: MIDECO, Salt Lake 

City, Utah. Report no.: 55938. Owner company: ARCO, Los Angeles, CA. Study number: ATX-84- 

0080. Report date: 1987-04-01. 

ARCO (1987l). Primary Eye Irritation in Rabbits Administered Test Article F-55-01. Testing laboratory: 

Mideco, Inc., Salt Lake City, Utah. Report no.: 55939. Owner company: ARCO, Los Angeles, CA. 


ARCO (1987m). Dermal sensitization study in albino guinea pigs with test article F-55-01. Testing 

laboratory: MIDECO, Salt Lake City, Utah. Report no.: 55940. Owner company: ARCO, Los Angeles, 

CA. Study number: ATX-84-0082. Report date: 1987-04-08. 

ARCO (1988a). Acute inhalation toxicity study in rats administered naval distillates. Testing 

laboratory: Bio/dynamics, East Millstone, New Jersey. Report no.: 85-7867(A). Owner company: 


ARCO (1988b). Acute inhalation toxicity study in rats administered test article F-91-01. Testing 

laboratory: Bio/dynamics, East Millstone, New Jersey. Report no.: 87-7999. Owner company: ARCO, 

Los Angeles, CA. Study number: ATX-86-0060. Report date: 1988-11-29. 

2010-07-30 CSR 190


ARCO (1988c). Acute inhalation toxicity study in rats administered diesel no. 2 heating oil. Testing 

laboratory: Bio/dynamics, East Millstone, New Jersey. Report no.: 85-7866. Owner company: ARCO, 


ARCO (1988d). Acute inhalation toxicity study in rats administered test article F-55-01. Testing 

laboratory: Bio-Research Laboratories, Ltd., Canada. Report no.: 82191. Owner company: ARCO, 


ARCO (1988e). Primary dermal irritation study in albino rabbits administered test article F-91-01. 

Testing laboratory: UBTL, Salt Lake City, Utah. Report no.: 62776. Owner company: ARCO, Los 


ARCO (1988f). Primary Eye Irritation Study in Rabbits Administered ARCO Diesel - Low Sulfur. 



ARCO (1988g). Dermal sensitization study in guinea pigs administered ARCO diesel low sulfur. 



ARCO (1988h). Twenty-eight (28) day dermal toxicity study in rats on test article F-91-01. Testing 



ARCO (1990a). Acute Dermal Toxicity Study in Rabbits Administered Test Article F-102-01 (Naval 

Distillate). Testing laboratory: Utah Biomedical Test Laboratory Salt Lake City, Utah. Report no.: 


04-10. 

ARCO (1990b). Primary dermal irritation study in rabbits administered test article F-102-01 (naval 

distillate). Testing laboratory: UBTL, Salt Lake City, Utah. Report no.: 65285. Owner company: 


ARCO (1990c). Primary Eye Irritation in Rabbits Administered Test Article F-102-01 (Naval Distillate). 



ARCO (1990d). Dermal sensitization study in guinea pigs administered test article F-102-01 (naval 

distillates). Testing laboratory: UBTL, Salt Lake City, Utah. Report no.: 65300. Owner company: 


ARCO (1990e). Dermal photoirritaiton study in rabbits adminsitered test article F-102-01 (Naval 

Distillate). Testing laboratory: UBTL, Salt Lake City, Utah. Report no.: 89-0038. Owner company: 

ARCO, Los Angeles, CA. 

ARCO (1991). Acute inhalation toxicity study of F-102 in rats. Testing laboratory: IIT Research 

Institute, Chicago, Illinois. Report no.: L08297. Owner company: ARCO, Los Angeles, CA. Study 

number: ATX-89-0018. Report date: 1991-04-19. 

ARCO (1992a). Approximate lethal dose study in rats administered test article F-102-01 (Naval 

Distillate). Testing laboratory: UBTL, Salt Lake City, Utah. Owner company: ARCO, Los Angeles, CA. 

Study number: 89-0013. Report date: 1992-10-16. 

ARCO (1992b). Acute inhalation toxicity study in rats administered test article F-188 (sweet 



ARCO (1992c). Acute Dermal Toxicity Study in Rabbits Administered Test Article F-235 

(Hydrodesulfurized Middle Distillate). Testing laboratory: Utah Biomedical Test Laboratory, Salt Lake 

City, Utah. Report no.: 66512. Owner company: ARCO, Los Angeles, CA. Study number: ATX-91- 

0243. Report date: 1992-10-12. 

2010-07-30 CSR 191


ARCO (1992d). Primary Eye Irritation in Rabbits Administered Test Article F-235 (Hydrodesulfurized 

Middle Distillate). Testing laboratory: Utah Biomedical Test Laboratory, Salt Lake City, Utah. Report 

no.: 66519. Owner company: ARCO, Los Angeles, CA. Study number: ATX-91-0244. Report date: 

1992-11-19. 

ARCO (1992e). 28 Day Dermal Toxicity Study in Rats. Testing laboratory: UBTL, Salt Lake City, Utah. 

Report no.: 65365. Owner company: ARCO, Los Angeles, CA. Study number: ATX-89-0008. Report 

date: 1992-03-26. 

ARCO (1992f). 28 Day Dermal Toxicity Study in Rats. Testing laboratory: UBTL, Salt Lake City, Utah. 


date: 1992-07-08. 

ARCO (1993a). Acute oral toxicity study in rats administered test article F-188 (Sweet distillates). 

Testing laboratory: UBTL, Salt Lake City, Utah. Owner company: ARCO, Los Angeles, CA. Study 

number: 91-0087. Report date: 1993-05-26. 

ARCO (1993b). Acute oral toxicity study in rats administered test article F-235 (Hydrodesulfurized 

Middle Distillate). Testing laboratory: UBTL, Salt Lake City, Utah. Owner company: ARCO, Los 

Angeles, CA. Study number: 91-0242. 

ARCO (1993c). Acute inhalation toxicity study in rats administered test article F-235 (light vacuum gas 

oil). Testing laboratory: UBTL, Salt Lake City, Utah. Report no.: 66547. Owner company: ARCO, Los 


ARCO (1993d). Acute Dermal Toxicity Study in Rabbits Administered Test Article F-188 (Sweet 

Distillates). Testing laboratory: Utah Biomedical Test Laboratory, Salt Lake City, Utah. Report no.: 


05-26. 

ARCO (1993e). Primary dermal irritation study in rabbits administered test article F-188 (sweet 



ARCO (1993f). Primary dermal irritation study in rabbits administered test article F-235 

(hydrodesulfurized middle distillates). Testing laboratory: UBTL, Salt Lake City, Utah. Report no.: 


01-21. 

ARCO (1993g). Primary Eye Irritation in Rabbits Administered Test Article F-188 (Sweet Distillates). 



ARCO (1993h). Dermal sensitization study in guinea pigs with test article F-188 (sweet distillates). 



ARCO (1993i). Dermal sensitization study in guinea pigs administered test article F-235 

(hydrodesulfurized middle distillates). Testing laboratory: UBTL, Salt Lake City, Utah. Report no.: 


04-10. 

ARCO (1993j). 28 Day Dermal Toxicity Study in Rats. Testing laboratory: UBTL, Salt Lake City, Utah. 


date: 1993-05-28. 

ARCO (1993k). Developmental toxicity (embryo-fetal toxicity and teratogenic potential) study of F-195 

administered percutaneously to Crl: CD BR VAF/Plus presumed pregnant rats. Testing laboratory: 

Argus Research Laboratories, Inc., Harsham, Pennsylvania. Report no.: 1001-008. Owner company: 

ARCO, Los Angeles, CA. Study number: 920156. Report date: 1993-12-14. 

ARCO (1993l). Testskin Living Skin Equivalent using MTT conversion, IL-1alpha, PGE2, and LDH 

2010-07-30 CSR 192


release. Testing laboratory: Microbiological Associates, Inc., Rockville, Maryland. Report no.: 93- 

0112. Study number: A000068. 

ARCO (1993m). Topical application assay with PGE2, IL-1alpha and LDH release using Skin ZK1300 

model. Testing laboratory: Microbiological Associates, Inc., Rockville, Maryland. Report no.: 93-0102. 

Owner company: ARCO, Los Angeles, CA. Study number: A000195. 

ARCO (1993n). Dermal photoirritation study in rabbits administered test article F-188 (Sweet 

distillates). Testing laboratory: UBTL, Salt Lake City, Utah. Report no.: 91-0092. Owner company: 

ARCO, Los Angeles, CA. 

ARCO (1993o). Dermal photoirritation study in rabbits administered test article F-235 

(Hydrodesulfurized middle distillate). Testing laboratory: UBTL, Salt Lake City, Utah. Report no.: 91- 

0247. Owner company: ARCO, Los Angeles, CA. 

ARCO (1994a). 28 Day Dermal Toxicity Study in Rats Administered Test Article F-102-01. Testing 

laboratory: UBTL, Salt Lake City, Utah. Report no.: 65365R. Owner company: ARCO, Los Angeles, 

CA. Study number: ATX-93-1069. Report date: 1994-03-03. 

ARCO (1994b). Ninety (90) day dermal toxicity study in rats administered test article F-237. Testing 

laboratory: UBTL, Salt Lake City, Utah. Report no.: 66556. Owner company: ARCO, Los Angeles, 

California. Study number: ATX-91-0258. Report date: 1994-01-29. 

ARCO (1994c). Developmental toxicity screen in rats administered the test article F-195, ATX 91- 

0129 (straight run diesel). Testing laboratory: UBTL, Salt Lake City, Utah. Report no.: 66355. Owner 

company: ARCO, Los Angeles, CA. Study number: 91-0129. Report date: 1994-02-25. 

ARCO (1994d). Developmental toxicity screen in rats administered the test article F-194, ATX 91- 

0128 (VDF diesel). Testing laboratory: UBTL, Salt Lake City, Utah. Report no.: 66354. Owner 

company: ARCO, Los Angeles, CA. Study number: 91-0128. Report date: 1994-02-28. 

ARCO (1994e). MTT Time Course Assay with PGE2, IL-1alpha, and LDH Release Using the EpiDerm 

Skin Model. Testing laboratory: Microbiological Associates, Inc., Rockville, MD. Report no.: 93-0197. 

Owner company: ARCO, Los Angeles, CA. Study number: AA650-AA659 & AE037-AE040.050. 

Battersby, N. S and Bumpus, R. N. (2001). Research Note: SMDS as an AGO component: an 

assessment of "ready" biodegradability. Shell Global Solutions. Testing laboratory: Shell Global 

Solutions. Report no.: OP.00.49011. Owner company: Shell Global Solutions. Study number: 

SHLL6681. Report date: 2001-01-01. 

Beck, L.S., Hepler, D.I. and Hansen, K.L. (1984). The acute toxicology of selected petroleum 

hydrocarbons. Elars Bioresearch. Advances in Modern Environmental Toxicology, Volume VI. Applied 

Toxicology of Petroleum Hydrocarbons. McFarland, H.N. et al. Princeton Scientific, Princeton, New 

Jersey, USA. Volume VI, pp1-16. 

Biles, R. W., Mckee, R. H., Lewis, S. C., Scala, R. A., DePass, L. R. (1988). Dermal carcinogenic 

activity of petroleum-derived middle distillate fuels. Toxicology 53:301-314. 

Blackburn, G.R., Deitch, R.A., Schreiner, C.A. and Mackerer, C.R. (1986). Predicting carcinogenicity 

of petroleum distillation fractions using a modified Salmonella mutagenicity assay. Mobil 

Environmental and Health Sciences Laboratory. Cell Biology and Toxicology. 2, pp63-84. 

Blackburn, G.R., Deitch, R.A., Schreiner, C.A., Mehlmann, M.A. and Mackerer, C.R. (1984). 

Estimation of the dermal carcinogenic activity of petroleum fractions using a modified Ames assay. 

Mobil Environmental and Health Sciences Laboratory. Cell Biology and Toxicology. 1, pp67-80. 

Brack W, Altenburger R, Kuster E, Meissner B, Wenzel K-D, Schüürmann G. (2003). Identification of 

toxic products of anthracene photomodification in simulated sunlight. Environmental Toxicology and 

Chemistry 22:2228-2237. 

Broddle, W.D., Dennis, M.W., Kitchen, D.N. and Vernot, E.H. (1996). Chronic dermal studies of 

petroleum streams in mice. Fundamental and Applied Toxicology. Volume 30, pp 47-54. 

2010-07-30 CSR 193


Canale, A. J. (1999). Determination of the aerobic ready biodegradability of Nigerian diesel fuel using 

the OECD 301F manometric respirometry test method. Testing laboratory: Ecotoxicology Laboratory, 

Mobil Business Resources Corp, Paulsboro. Owner company: MRCTEC, Extracts and Process Oils, 

Paulsboro, NJ. Study number: 68246. Report date: 1999-12-15. 

Clark, C.R., Walter, M.K., Ferguson, P.W. and Katchen, M. (1988). Comparative dermal 

carcinogenesis of shale and petroleum-derived distillates. Toxicology and Industrial Health. 4(1), 

pp11-22. 

Clark, R et al (2003). The Environmental Benefits of Shell GTL Diesel. Proceedings of the 4th Int. 

Colloquium, "Fuels," Tech. Akad. Esslingen, Ostfildern, Germany. Testing laboratory: Shell Global 

Solutions. Owner company: Shell Global Solutions. Study number: OGTP.02.42152. Report date: 

2003-01-15. 

CONCAWE (1991). Middle distillates - a review of the results of a CONCAWE programme of shortterm 

biological studies. Report No. 91/51. 

CONCAWE (1992). Ecotoxicological testing of petroleum products: test methodology. Report No. 

92/56, CONCAWE, Brussels, Belgium. 

CONCAWE (1993). Middle distillates programme, phase 2: overview of the results of a 13-week skinpainting 

study. Report No. 93/55. 

CONCAWE (1995). Product Dossier 94/106. Kerosines/Jet Fuels, CONCAWE, Brussels, Belgium. 

CONCAWE (1996a). Gas oils (diesel fuels/heating oils). Owner company: CONCAWE, Brussels, 

Belgium. Study number: 95/107. 

CONCAWE (1996b). Environmental risk assessment of petroleum substances: the hydrocarbon block 

method. Report no. 96/52, CONCAWE. 

CONCAWE (1999). Best available techniques to reduce emissions from refineries, Report no. 99/01, 

CONCAWE, Brussels, Belgium. 

CONCAWE (2010a). Compilation of selected physico-chemical properties of petroleum substances. 

Owner company: CONCAWE, Brussels, Belgium. Study number: 6/10. 

CONCAWE (2010b) An Evaluation of the Persistence, Bioaccumulation and Toxicity of Petroleum 

Hydrocarbons 

Dalbey, W., Henry, M., Holmberg, R., Moneyhun, J., Schmoyer, R. and Lock, S. (1987). Role of 

exposure parameters in toxicity of aerosolized diesel fuel in the rat. |Journal of Applied Toxicology. 

7(4), pp265-275. 

Dalbey, W., Lock, S., Garfinkel, S., Jenkins, R., Holmberg, R. and Guerin, M. (1982). MacFarland, H. 

N., Holdsorth, C. E. and MacGregor, J. A. Inhalation exposure of rats to aerosolized diesel fuel. The 

Toxicology of Petroleum Hydrocarbons. Owner company: American Petroleum Institute. Report 30- 

31531, pp 13-25. 

Dally, S., Hagermann, R., McKee, R., Nessel, C., Priston, R., Riley, A. and Simpson, B.J. (1996). 

Overview of the CONCAWE middle distillate programme. CONCAWE, Brussels. Report No. 96/62. 

Deininger, G., Jungen, H., Wenzel-Hartung, R. (1991). Middle distillates analytical investigations and 

mutagenicity studies. Testing laboratory: DGMK, Hamburg, Germany. Owner company: DGMK 

German Society for Petroleum Sciences and Coal Chemistry. Study number: 412-1. Report date: 

1991-04-30. 

DiToro, D.M., McGrath J.A., Hansen D.J. (2000). Technical basis for narcotic chemicals and 

polycyclic aromatic hydrocarbon criteria. I. Water and Tissue. Environ. Toxicol. Chem. 19, 1951-1970. 

Easley, J.R., Holland, J.M., Gipson, L.C. and Whitaker, M.J. (1982). Renal toxicity of middle distillates 

of shale oil and petroleum in mice. Toxicology and Applied Pharmacology. 65(1), pp84-91. 

2010-07-30 CSR 194


EC (2003), 2nd Edition of the Technical Guidance Document in support of Commission Directive 

93/67/EEC on Risk Assessment of new notified substances, Commission Regulation (EC) No 

1488/94 on Risk Assessment for existing substances and Directive 98/8/EC of the European 

Parliament and of the Council concerning the placing of biocidal products on the market. Office for 

the Official Publications of the European Communities, Luxembourg 

ECHA (2008), Guidance on information requirements and chemical safety assessment Chapter R.7c, 

Appendix R.7.13-1 Technical Guidance for Environmental Risk Assessment of Petroleum 

Substances, p 221 

EMBSI (1996). Two year dermal carcinogenicity study of middle distillates in mice. Exxon Biomedical 

Sciences Inc. New Jersey, USA. Project No. 117811A. 

EU (2003). European Commission Technical Guidance on Risk Assessment. In support of 

Commission Directive 03/67/EEC on Risk Assessment for new notified substance, Commission 

Regulation (EC) No 1488/94 on Risk Assessment for existing substances and Directive 98/8/EC of 

the European Parliament and of the Council concerning the placing of biocidal products on the 

market. European Commission Joint Research Centre, Ispra. Eur 20418 EN/1 

Febbo, E (2007a). Fish, Acute toxicity test with fathead minnows. Testing laboratory: ExxonMobil 

Biomedical Sciences, INC. Owner company: ExxonMobil Chemicals, Intermediates. Study number: 

1429401FHM. Report date: 2007-01-15. 

Febbo, E (2007b). Daphnia sp. Acute Immobilization Test with Gas Oil. Testing laboratory: Not 

reported. Report no.: 146342A. Owner company: ExxonMobil Company International. Report date: 

2007-01-15. 

Fox MA, Olive S. (1979). Photooxidation of anthracene on atmospheric particulate matter. Science 

205:582-583. 

Fritsche W and Hofrichter M, (2000), Aerobic degradation by microorganisms. In: Rehm, H.-J., Reed, 

G. (Eds.) Biotechnology - Vol. 11b: Environmental Processes. Wiley-VCH, Weinheim, New York, pp. 

145-167. 

Fueston, M.H., Low, L.K., Hamilton, C.E. and Mackerer, C.R. (1994). Correlation of systemic and 

developmental toxicities with chemical component classes of refinery streams. Fundamental and 

Applied Toxicology, 22(4), 622-630. 

Gerhart, J.M., Hatoum, N.S., Halder, C.A., Warne, T.M. and Schmitt, S.L. (1988). Tumour initiation 

and promotion effects of petroleum streams in mouse skin. Fundamental and Applied Toxicology, Vol 

11, (1), 76-90. 

Girling A and Cann, B (1996b). Gasoil sample 2: Acute toxicity of water accommodated fractions to 

Oncorhynchus mykiss, Daphnia magna and Raphidocelis subcapitata. Not applicable. Testing 

laboratory: Sittingbourne Research Centre. Report no.: OT.96.40018. Owner company: Shell 

Research Ltd. Study number: 6304. Report date: 1996-06-19. 

Girling A and Linnett, P (1994). Acute toxicity of diesel (Stanlow winter quality AGO) water 

accommodated fractions (WAFs) to Daphnia magna and Raphidocelis subcapitata. Testing 

laboratory: Shell Sittingbourne Research Centre. Owner company: SIPC, SMAD. Study number: 

6167. Report date: 1996-01-17. 

Girling, A and Cann, B (1996a). Gasoil sample 1: Acute toxicity of water accommodated fractions to 

Oncorhynchus mykiss, Daphnia magna and Raphidocelis subcapitata. Not applicable. Testing 

laboratory: Sittingbourne Research Centre. Report no.: OT.96.40017. Owner company: Shell 

Research Ltd. Study number: 6303. Report date: 1996-06-19. 

Girling, A. E., Makarian R.K., Bennett D. (1992). Aquatic toxicity testing of oil products - some 

recommendations. Chemosphere 24(10), 1469-1472. 

Hedtke, S and Puglisi, F (1982). Short term toxicity of five oils to four freshwater species. Arch. 

Environm. Contam. Toxicol 11, 425-430. 

2010-07-30 CSR 195


Huang X-D, Krylov SN, Ren L, McConkey BJ, Dixon DG, Greenberg BM. (1997). Mechanistic 

quantitative structure-activity relationship model for the photoinduced toxicity of polycyclic aromatic 

hydrocarbons: II. An empirical model for the toxicity of 16 polycyclic aromatic hydrocarbons to the 

duckweed Lemna gibba L. G-3. Environmental Toxicology and Chemistry. 16:2296-2303. 

IIT Research Institute (1984). Three week percutaneous toxicity study of diesel fuel in rabbits. Final 

Report. IITRI project No. L8100. Owner company: Standard Oil Co. (Ind). IIT Research Institute, 

Chicago. August 8, 1984 

IIT Research Institute (1985). Lifetime dermal tumorigenesis study of premier diesel fuel in male mice. 

Study No. 134 IITRI Project No. L8100 IIT Research institute 

Jungen, H., Mellert, W. and Wenzel-Hartung, R.P. (1995). Studies on the tumour initiation/promotion 

potential of six middles distillates in mouse skin. Fundamental and Applied Toxicology, 27(1), 114- 

120. 

Kachholz T and Rehm H, (1977). Degradation of long chain alkanes by bacilli. I. Development and 

product formation by bacilli degrading alkanes in the presence of other carbon sources, Applied 

Microbiology and Biotechnology, 4, 2, 101-110 

Kainz, R.J. and White, L.E. (1984). Depressant effects associated with the inhalation of uncombusted 

diesel vapour. Advances in Modern Environmental Toxicology, Volume VI. Applied Toxicology of 

Petroleum Hydrocarbons. MacFarland, H.N. et al. Princeton Scientific, Princeton, New Jersey, USA. 

Volume VI, Chapter 17, 233-243. 

Lee, C. (1993). Water insoluble biodegradation test report. Method development using CONCAWE 

reference gas oil: Phase III. Testing laboratory: Exxon Mobil Biomedical Sciences Inc. Owner 

company: Exxon Mobil Biomedical Sciences Inc. Report date: 1993-05-04. 

Lock, S., Dalbey, W., Schmoyer, R., Griesemer, K. (1984). Inhalation toxicology of diesel fuel 

obscurant in Sprague-Dawley rats, phase 3, subchronic exposures. Testing laboratory: Oak Ridge 

National Laboratory, Oak Ridge, Tennessee. Report no.: TM-9403. Owner company: U. S. Army 

Medical Research and Development. 

Mackay, D. (1991). Multimedia Environmental Models. The Fugacity Approach, Lewis Publishers. 

Mallakin A, Dixon DG, Greenberg BM. (2000). Pathway of anthracene modificaton under simulated 

solar radiation. Chemosphere. 40:1435-1441. 

McCarthy, L., Mackay D., Smith A.D., Ozburn G.W., Dixon D.G. (1991). Interpreting aquatic toxicity 

QSARs: The significance of toxicant body residues at the pharmacologic endpoint in: The Science of 

the Total Environment. Nrigu, J.O. (ed) 515-525. Elsevier, Amsterdam, The Netherlands. 

McConkey BJ, Duxbury CL, Dixon DG, Greenberg BM. (1997). Toxicity of a PAH photooxidation 

product to the bacteria Photobacterium phosphoreum and the duckweed Lemna gibba: Effects of 

phenanthrene and its primary photoproduct, phenanthrenequinone. Environmental Toxicology and 

Chemistry. 16:892-899. 

McGrath, J.A., Parkerton T.F., Di Toro D.M. (2004). Application of the narcosis target lipid model to 

algal toxicity and deriving predicted no effect concentrations. Environ. Toxicol. Chem. 23, 2503-2517. 

McKee, R. H., Amoruso, M. A., Freeman, J. J., Przygoda, R. T. (1994). Evaluation of the genetic 

toxicity of middle distillate fuels. Environmental and Molecular Mutagenesis 23:234-238. Testing 

laboratory: Exxon Biomedical Sciences, East Millstone, New Jersey. 

Mobil (1989a). Thirteen Week Dermal Administration of Vacuum Tower Overheads to Rats. Testing 

laboratory: Mobil Environmental and Health Science Laboratory, Princeton, New Jersey. Report no.: 

62326. Study number: 62326. Report date: 1989-11-03. 

Mobil (1989b). Developmental toxicity study in rats exposed dermally to vacuum tower overheads 

(VTO). Report no.: 62328. Owner company: CONCAWE, Brussels, Belgium. Study number: 7059. 

2010-07-30 CSR 196


Muller, J (2000). Daphnia magna, Acute immobilisation test with gas oil WAFs. Testing laboratory: 

Fraunhofer Institute. Owner company: DGMK, Hamburg. Study number: DGM-001/4-20. Report date: 

2000-07-24. 

Nessel, C.S., Priston, R.A.J., McKee, R.H., Cruzan, G.,Riley, A.J., Hagemann, R., Plutnick, R.T. and 

Simpson, B.J. (1998). A comprehensive evaluation of the mechanism of skin tumourigenesis by 

straight-run and cracked petroleum middle distillates. Toxicological Sciences,. 44(1), 22-31. 

Nikolaou K, Masclet P, Mouvier G. (1984). Sources and chemical reactivity of polynuclear aromatic 

hydrocarbons in the atmosphere - a critical review. Science of the Total Environment. 32:103-132. 

NTP (1986) Toxicology and carcinogenesis studies of marine diesel fuel (CAS No. 68334-30-5) and 

JP-5 nvay fuel (CAS No. 8008-20-6) in B6C3F1 mice (dermal studies). National Toxicology 

Programme Technical Report Series. US Department of Health and Human Services, Research 

Triangle Park, NC, USA. Report No. 310. 

Palmer, A. G. (2001a). Research Note: SMDS as an AGO component: an assessment of acute 

ecotoxicity. Shell Global Solutions. Testing laboratory: Shell Global Solutions. Report no.: 

OP.00.49012. Owner company: Shell Global Solutions. Study number: SHLL 6679. Report date: 

2001-02-01. 

Plant Reasearch Interrnational (2008). Assessment of chronic effects of 1,3,5-trimethylbenzene 

(mesitylene) and n-undecane on plants. Reports 204 and 205. Owner company: CONCAWE. 

Prince RC, Walters CC. (2006). Biodegradation of Oil Hydrocarbons and Its Implications for Source 

Identification. In: Wang Z, Stout SA, (Eds.) Oil Spill Environmental Forensics Academic Press. p 349- 

379. 

Redman, et al. (2010a). PETRORISK Model. CONCAWE. Testing laboratory: Hydroqual Onc., 

Mahwah, NJ, USA. Owner company: CONCAWE. 

Redman, et al. (2010b). Aquatic Toxicity Predictions Obtained Using the PETROTOX Model for 

petroleum substances. CONCAWE, Brussels, Belgium. 

Redman, et al. (2010c). PETRORISK Users Guide, HydroQual, Inc., for Conservation of Clean Air 

and Water in Europe (CONCAWE). 

Schiff, K (1994a). Acute toxicity study with Menidia beryllina for 96 hours with daily renewal. Testing 

laboratory: Kinnetic Laboratories, Inc. 5225-H Avenida Ecinas, Carlsbad, California 92008. Report 

no.: 20MEN003. Owner company: ARCO. Study number: ATX-91-0284. Report date: 1994-08-02. 

Schiff, K (1994b). Acute toxicity study with Daphnia magna for 48 hours with no renewals. Testing 


no.: 20DAP003. Owner company: ARCO. Study number: ATX-91-0282. Report date: 1994-08-01. 

Schiff, K (1994c). Acute toxicity study with Mysidopsis bahia for 96 hours with daily renewal. Testing 


no.: 20MYS003. Owner company: ARCO. Study number: ATX-91-283. Report date: 1994-08-02. 

Schiff, K (1994d). Static acute toxicity study with Selenastrum capricornutum for 96 hours. Testing 


no.: 20SEL003. Owner company: ARCO. Study number: ATX-91-0285. Report date: 1994-08-01. 

Schiff, K. (1992). Acute toxicity study with Pimephales promelas for 96 hours with daily renewal. 

Testing laboratory: Kinnetic Laboratories, Inc. 5225-H Avenida Ecinas, Carlsbad, California 92008. 

Owner company: ARCO. Study number: 20PIM003. Report date: 1994-08-02. 

Stainken, D (1977). The accumulation and depuration of No. 2 fuel oil by the soft shell clam, Mya 

arenaria L. In Wolfe, D. Fate and Effects of Petroleum Hydrocarbons in Marine Ecosystems and 

Organisms. New York: Pergamon Press pp 313-322. 

Targia, M. (1998a). Rainbow trout acute toxicity test. Testing laboratory: Exxon Biomedical Sciences, 

2010-07-30 CSR 197


Inc. Owner company: Exxon Chemical Intermediates, Houston, Texas. Study number: 142958. Report 

date: 1998-06-08. 

Targia, M. (1998b). Sheepshead Minnow Acute Toxicity Test. Testing laboratory: Exxon Biomedical 

Sciences, INC. Owner company: Exxon Chemicals Intermediates, Houston, Texas. Study number: 

142961. Report date: 1998-09-09. 

Targia, M. (1998c). Fish Acute Toxicity Test with Menidia beryllina. Testing laboratory: Exxon 

Biomedical Sciences, Inc. Owner company: Exxon Chemicals Intermediates. Study number: 

142940MB. Report date: 1998-09-09. 

Targia, M. (1998d). Alga toxicity test. Testing laboratory: Exxon Biomedical Sciences, Inc. Owner 

company: Exxon Chemical Intermediates. Study number: 142967. Report date: 1998-06-08. 

Targia, M. (1998e). Alga Toxicity Test with Skeletonema costatum. Testing laboratory: Exxon 

Biomedical Sciences, INC. Owner company: Exxon Chemical Intermediates. Study number: 

142967SK. Report date: 1998-08-25. 

Van der Meer JR, de Vos WM, Harayama S, Zehnder AJB. (1992). Molecular mechanisms of genetic 

adaptation to xenobiotic compounds. Microbiological Reviews. 56:677-694. 

Volkering F, Breure AM. (2003) Biodegradation and general aspects of bioavailability. In PAHs: An 

ecotoxicological perspective, Douben PET (Ed.). Wiley, West Sussex, UK, pp. 81-96. 

Walborg, E.F., Digiovanni, J., Conti, C.J., Slaga, T.J., Freeman, J.J., Steup, D.R. and Skisak, C.M. 

(1998). Short-term biomarkers of tumour promotion in mouse skin treated with petroleum middle 

distillates. Toxicological Sciences, 45(2), 37-145. 

Witschi, H.P., Smith, L.H., Frome, E.L., Pequet-Goad, M.E., Griest, W.H., Ho, C.H. and Guerin, M.R. 

(1987). Skin tumorigenic potential of crude and refined coal liquids and analagous petroleum 

products. Fundamental and Applied Toxicology, 9(2), 297-303. 

2010-07-30 CSR 198


APPENDIX 1: Category Justification Document 

Category Justification for Petroleum Substances 

Vacuum Gas Oils, Hydrocracked Gas Oils & Distillate 

Fuels 

Crude oil (Petroleum, CAS Registry Number (CAS RN) 8002-05-9) is a complex combination of 

hydrocarbons extracted in its natural state from the ground. It consists predominantly of aliphatic, 

alicyclic and aromatic hydrocarbons, but may also contain small amounts of nitrogen, oxygen and 

sulphur compounds. It is used as a feedstock for petroleum refining operations, which separates and 

converts it into fractions (streams). Petroleum refinery streams are used in a variety of applications, 

with the major proportion being used in the production of hydrocarbon transport fuels. 

Due to their method of production, and complex composition, it is not possible to characterise 

petroleum substances in terms of their exact chemical composition, molecular formula or structure. 

They are grouped together according to the process by which they are being manufactured and basic 

physical-chemical properties. Similar conversion and/or separation processes will result in streams of 

broadly similar composition. The resulting groups of petroleum substances have been used by the 

European Commission for the purposes of compiling Annex 1 to the Existing Substances Regulation 

(published in the Official Journal L84 on 5 April 1993), Annex XVII of REACH and Annex VI of CLP. 

The groups have also been used during discussions on EU harmonised classification and labelling 

and for some endpoints (particularly carcinogenicity) harmonised ‘group’ classifications have been 

applied to individual petroleum substances and are listed in both Annex 1 to 67/548/EC and Annex VI 

to CLP. In the USA, petroleum substances have also been grouped in categories for the purposes of 

the High Production Volume (HPV) Chemicals programme. The approach is broadly similar to that 

used in Europe, and has been accepted by the US EPA. 

This category justification has been prepared in accordance with the REACH Technical Guidance 

Document (May 2007) prepared under RIP 3.3. 

1. Category Definition 

1.1 Category Hypothesis and Applicability Domain 

This category, Vacuum Gas Oils, Hydrocracked Gas Oils & Distillate Fuels, covers a group (17) of 

petroleum gas oil substances used in the manufacture of distillate fuels (automotive diesel fuels, 

home heating oils, marine gas oils), petrochemical intermediates or gas oils used as components of 

formulated industrial lubricants and additives. They are not intentional mixtures of chemicals but are 

complex combinations of hydrocarbon species, produced to meet physical-chemical and technical 

performance specifications. 

The domain of this category is established by the refining processes by which the category members 

are produced and the boiling point and the carbon number range as follows: 

 

 

Derived from crude petroleum 

Refinery processes 

o Atmospheric distillation 

o Vacuum distillation 

o Hydrocracking 

o Blending of petroleum substances to produce the following CASRNs 

• 68334-30-5 Fuels, Diesel 

• 68476-30-2 Fuel Oil No. 2 

• 68476-31-3 Fuel Oil No 4 

• 68476-34-6 Fuels Diesel No 2 

2010-07-30 CSR Appendix 1


 

 

 

Hydrocarbon types: straight and branched alkanes and alkenes, cycloalkanes and 

cycloalkenes, aromatics and mixed aromatic cycloalkanes. 

Boiling point range: 141- 500 o C 

Carbon number range: predominantly C9 to C30 

The category is formed on the principle that vacuum gas oil, hydrocracked gas oil and distillate fuel 

substances have similar physical-chemical and technical characteristics and present similar health, 

safety and environmental hazards. 

1.2 Category Members 

This category is comprised of seventeen UVCB substances (substances of Unknown or Variable 

compositions, Complex reaction products and Biological materials), each with a unique CAS Registry 

Number (CAS RN); see Appendix 1. The EINECS definition includes, inter alia, reference to method 

of refining (distillation), boiling point and carbon number ranges, and in some cases, final processing 

step. Category members are produced in a refinery as petrochemical intermediates, used in the 

manufacture of automotive diesel fuels, home heating oils, marine gas oils and gas oils or used as 

components of formulated industrial lubricants or additives. In general the individual substances are 

all produced in quantities of greater than 1,000t/a. 

The members of this category are shown in Appendix 1, some of these members are listed in REACH 

Annex XVII, to which Nota N 1 have been applied. 

Included in the category are six petroleum substances for which the EINECS number is not 

accompanied with a description providing information on the carbon number range and/or the boiling 

range. In practice, however, these substances show carbon number ranges and boiling ranges similar 

to other members of the category and within the category domain definition. 

1.3 Purity / Impurities 

From a regulatory perspective, the category members are recognised as UVCB substances derived 

from the refining of crude oil (petroleum). Such chemical substances cannot be represented by simple 

or unique chemical structures or molecular formulae. As such, they contain constituents but do not 

contain impurities. 

1.4 Category Order 

The category described consists of UVCB substances and a category order is therefore not relevant 

2. Category justification 

The Vacuum Gas Oils, Hydrocracked Gas Oils & Distillate Fuels substances in this category are all 

produced by distillation and processing of crude petroleum. They are all liquids of varying viscosity, 

and have low volatility. They are complex combinations of straight and branched alkanes and 

alkenes, cycloalkanes and cycloalkenes, aromatics and mixed aromatic cycloalkanes with carbon 

numbers ranging from C9 - C30, and boiling range of 141 - 500 o C. 

The complex and variable composition of UVCB substances means that it is not possible to define 

precisely their physical-chemical, toxicological and environmental properties, but they will fall into a 

range, defined by the properties, and amounts present, of the individual hydrocarbon constituents. To 

take account of the variable composition, hazard properties are determined using a ‘worst case’ 

approach, except where specified. Where data do not exist for vacuum gas oils, hydrocracked gas 

1 i.e. The classification as a carcinogen need not apply if the full refining history is known and it can be 

shown that the substance from which it was produced is not a carcinogen. This Nota applies only to 

certain complex oil-derived substances in Annex 1. 



oils and distillate fuels, a conservative read across is conducted to Cracked Gas Oils. This read 

across is considered conservative as this category has a higher degree of hazard and subsequently 

classification. 

The category approach has been applied to all relevant physical-chemical, toxicological and 

ecotoxicological endpoints listed in column 1 of Annexes VII, VIII, IX and X of the REACH Regulation. 

Where a specific endpoint is not considered applicable to substances in this category a justification is 

provided 

3. Data template and conclusions per endpoint for 

C&L, PBT/vPvB and dose descriptor 

‣ Physical-Chemical Properties (Section 7 of REACH Annexes VII-X) 

Vacuum Gas Oils, Hydrocracked Gas Oils & Distillate Fuels are produced to meet performance 

specifications. Typical values / ranges are given in Table 1. 

Table 1: Typical physical-chemical endpoint data for vacuum gas oils, hydrocracked gas oils and 

distillate fuels 

Endpoint 2 

7.1 State of the 

substance at 20o C 

and101,3 kPa 

Relevance 

to 

Category 

Typical 

Value / 

Range 

Comment 

Yes Liquid Vacuum Gas Oils/Hydrocracked Gas 

Oils/Distillate Fuels are liquids of low volatility. 

7.2 Melting/freezing 

Point 

No 

Not 

applicable – 

see 

comments 

Single values for the category or individual 

UVCB members are not applicable. To better 

describe the physical phase or flow 

characteristics of petroleum products, the 

pour point is routinely used. The pour point is 

the lowest temperature at which movement of 

the test specimen is observed under 

prescribed conditions of the test (EN ISO 

3016). The pour point temperature falls as an 

oil’s viscosity increases. For Vacuum Gas 

Oil, Hydrocracked Gas Oil & Distillate Fuels 

the pour point ranges from -40°C to +6°C. 

7.3 Boiling point Yes 141 - 500°C Single values for the category or individual 

UVCB members are not applicable. 

Indicative values range from 141 to 500°C. 

7.4 Absolute density Yes 800 – 910 

kg/m 3 

Single values for the category or individual 

UVCB members are not applicable. 

Indicative values for the category for absolute 

density range from 800 to 910 kg/m 3 at 15°C. 

7.5 Vapour pressure Yes ~0.4 kPa Values for the category indicated that the 

vapour pressure is approximately 0.4 kPa. 

7.6 Surface tension No Not 


see 

comments 

7.7 Water solubility No Not 


see 

In line with REACH Annex VII, data on 

surface tension are not required as, based on 

structural considerations, surface activity is 

not expected or predicted, and surface activity 

is not a desired property of the material. 

Substance is a hydrocarbon UVCB. Standard 

tests for water solubility are intended for 

single substances and are not appropriate for 

this complex substance. 

2 In accordance with Annexes VII to X of REACH 



Endpoint 2 

7.8 Partition 

coefficient n- 

octanol/water 

Relevance 

to 

Category 

Yes 

Typical 

Value / 

Range 

comments 

Not 


see 

comments 

Comment 

Substance is a hydrocarbon UVCB. Standard 

tests for partition co-efficient are intended for 

single substances and are not appropriate for 

this complex substance. 

7.9 Flash-point Yes >56°C Data collected for the category indicates 

typical values greater than 56°C 

7.10 Flammability Yes Not 


see 

comments 

For Liquids, only flash point data are required 

to characterize flammability, as specified in 

Technical Guidance on Information 

Requirements / CSA, section 7.1.10 

7.11 Explosive 

Properties 

7.12 Self-ignition 

Temperature 

No 

Not 

Explosive 

According to column 2 of REACH Annex VII, 

the study does not need to be conducted if 

there are no chemical groups associated with 

explosive properties in the molecule 

Yes 225°C Based on typical self ignition temperature 

reported for gas oils. 

7.13 Oxidising 

Properties 

No 

Not 


see 

comments 

7.14 Granulometry No Not 


see 

comments 

7.15 Stability in 

organic solvents 

7.16 Dissociation 

constant 

No 

No 

Not 


see 

comments 

Not 


see 

comments 

7.17 Viscosity Yes > 1.3 mm 2 /s 

at 40°C 

In accordance with column 2 of REACH 

Annex VII, the study does not need to be 

conducted because on the basis of its 

chemical structure, the substance is 

incapable of reacting exothermically with 

combustible materials. 


Annex VII, the particle size distribution study 

(Granulometry) does not need to be 

conducted because the substance is not 

marketed or used in any solid or granular 

form. 


Annex IX, the study is only required if stability 

of the substance is considered to be critical. 

Category members all comprise combinations 

of organic hydrocarbons and stability in 

organic solvents is not considered relevant. 


Annex IX, this study does not need to be 

conducted because on the basis of its 

chemical structure the product does not 

include any ionisable atoms or functional 

groups. 

Vacuum gas oils/Hydrocracked Gas 

Oils/Distillate Fuels span a range of 

viscosities and not all will meet the physical 

requirement for classification as an aspiration 

hazard. 

‣ Toxicological Information (Section 8 of REACH Annexes VII-X) 

Toxicological data do not exist for all CAS numbers in the Vacuum gas oils, hydrocracked gas oils 

and distillate fuels. Data on individual CAS numbers have been used to ‘read across’ to other 

substances in the category and in some cases (as indicated) the category value has been assigned 

using read across from Cracked Gas Oils. This read across is considered conservative as this 

category has a higher degree of hazard and subsequently classification. Unless specified, a ‘worst 

case’ approach has been applied. 



Table 2: Toxicological Endpoint Category Values for Vacuum Gas Oils, Hydrocracked Gas Oils & 

Distillate Fuels. 

Endpoint 3 

8.1 Skin irritation or 

skin Corrosion 

8.1.1 In vivo skin 

irritation 

8.2 Eye irritation 

8.2.1 In vivo eye 

irritation 

8.3 Skin 

sensitisation 

8.4 Mutagenicity 

8.4.1 In vitro gene 

mutation study In 

Bacteria 

8.4.2 In vitro 

cytogenicity study in 

mammalian cells 

8.4.3 In vitro gene 

mutation study in 

mammalian cells 

8.4.4 In vivo 

cytogenicity 

8.4.5 In vivo gene 

Relevance 

to 

Category 

Derived Category 

Value 

Comment 

Yes Irritant Based on key study test data 

Yes Mild irritant Based on key study test data 

Yes Not sensitising Based on key study test data 

Yes Positive Based on key study test data 

Yes 

Yes 

Yes 

No data 

Positive & 

Ambiguous 

No data 

Based on read across supporting 

studies 

Yes Negative Based on key study test data 

mutation 

8.5 Acute toxicity 

8.5.1 By oral route Yes LD 50 : > 7600 mg/kg Based on key study test data 

8.5.2 By inhalation Yes LC 50 : 4.1 mg/l Based on key study test data 

8.5.3 By dermal 

route 

8.6 Repeated dose 

toxicity 

8.6.1 Short-term 

repeated dose 

toxicity study 

(28 days) 

8.6.2 Sub-chronic 

toxicity study (90- 

day) 

Yes LD 50 : > 4300 mg/kg Based on key study test data 

yes 

yes 

Dermal rat NOAEL 

0.5 ml/kg 

Inhalation rat 

NOAEC >1710 

mg/m 3 

Based on key study test data 

Based on test data from key studies 

8.7 Reproductive 

toxicity 

8.7.1 Screening for 

reproductive/ 

developmental 

toxicity (OECD 421 

or 422) 

8.7.2 Pre-natal 

developmental 

Toxicity Study 

No 

Yes 

Dermal rat, NOAEL 

30 mg/kg/day 

No data 

Negative 

Inhalation NOAEC 

>401 ppm 

Based on key studies test data 

Dermal: NOAEL 

developmental 125 

mg/kg/day, NOAEL 

maternal toxicity 

3 In accordance with Annexes VII to X of REACH 



Endpoint 3 

8.7.3 Onegeneration 

reproductive toxicity 

study 

8.8 Toxicokinetics 

8.8.1 Assessment of 

the Toxicokinetic 

behaviour of the 

substance 

8.9 Carcinogenicity 

8.9.1 Carcinogenicity 

study 

Relevance 

to 

Category 

Yes 


Value 

125 mg/kg 

No data from 

reproductive 

studies 

Comment 

No No data Substances in this category are UVCBs. 

It is not possible to apply standard 

methodology for assessing absorption, 

distribution and metabolism. Data on 

constituents can be used as the basis 

for understanding the toxicokinetics are 

included in the dossier 

Yes Carcinogenic Key study test data indicate low 

carcinogenic potential in line with the 

harmonised classification. 

‣ Eco-toxicological Information (Section 9 of REACH Annexes VII-X) 

Many of the standard test methods for environmental endpoints are not suitable for assessing the 

hazards of complex UVCB petroleum substances. Hence it has been necessary to develop alternative 

methodologies e.g. use of water accommodated fractions, which are more suitable for predicting the 

hazard properties of complex petroleum substances, for classification purposes. 

A number of environmental endpoints are not relevant to the overall UVCB petroleum substance. The 

type, concentration, and physical-chemical properties of individual chemical constituents present will 

influence the environmental distribution and fate of category members. Hence, an alternative strategy, 

based on the ‘Hydrocarbon Block Method’, has been developed for assessing the environmental risk 

related to the constituents present in UVCB petroleum substances (European Chemicals Bureau, 

Technical Guidance Document on Risk Assessment, Part II, 2003). 

For the purposes of ecological hazard endpoint evaluation, data on individual CAS Registry Numbers 

from the category have been used. Unless specified, in all cases a ‘worst case’ approach has been 

applied to identify a category value, with some being assigned on the basis of data available for 

constituents. Table 3 summarises the data available 

Table 3: Eco-toxicological endpoint category values for Vacuum or Hydrocracked Gas Oils & 

Distillate Fuels. 

Endpoint 

9.1 Aquatic toxicity 

9.1.1 Short-term toxicity 

testing on invertebrates 

(preferred species Daphnia) 

Relevance to 

Category 

Yes 


Value 

EL50 

68 mg/l 

(48 h) 

(Daphnia magna) 

Comment 

Based on key study. 

9.1.2 Growth inhibition study 

aquatic plants (algae 

preferred) 

Yes 

IL50 

22 mg/l 

(72 h) 

(Raphidocelis 

subcapitata) 


9.1.3 Short-term toxicity Yes LL50 Based on key study. 



testing on fish 

Endpoint 

Relevance to 

Category 


Value 

21 mg/l 

(96 h) 

(Oncorhynchus 

mykiss) 

Comment 

9.1.4 Activated sludge 

respiration inhibition testing 

9.1.5 Long-term toxicity 


(preferred species Daphnia) 

9.1.6 Long-term toxicity testing 

on fish 

9.1.6.1 Fish early-life stage 

(FELS) toxicity test 

9.1.6.2 Fish short-term 

toxicity test on embryo and 

sac-fry stages 

No Not applicable – 

see comments 

Yes 

Yes 

NOEL 

0.21 mg/l 

(21 d) 

(Daphnia magna) 

NOEL 

0.083 mg/l 

(14 d) 

(o. mykiss) 

Substance is a 

hydrocarbon UVCB. 

Standard tests for this 

endpoint are intended for 

single substances and are 

not appropriate for this 

complex substance. 


Based on QSAR 

(PETROTOX) prediction 

9.1.6.3 Fish, juvenile growth 

test 

9.2 Degradation 

9.2.1 Biotic 

9.2.1.1 Ready biodegradability Yes Readily 

biodegradable 


9.2.1.2 Simulation testing on 

ultimate degradation in 

surface water 

9.2.1.3 Soil simulation testing 

(for substances with a high 

potential for adsorption to 

soil) 

9.2.1.4 Sediment simulation 

testing (for substances with a 

high potential for adsorption 

to sediment) 

9.2.2 Abiotic 

9.2.2.1 Abiotic Hydrolysis as a 

function of pH 

9.2.2.2 Identification of 

degradation products 

60 % in a 28 day 

test 

Yes Not applicable – 

see comments 


see comments 


see comments 


see comments 


see comments 






















Hydrocarbons are not 

susceptible to abiotic 

hydrolysis. 

For all the major classes 

of hydrocarbons, the 

major metabolites are in 

most cases less toxic, and 



Endpoint 

9.3 Fate and behaviour in 

the environment 

9.3.1 Adsorption/desorption 

Screening 

9.3.2 Bioaccumulation in 

aquatic species, preferably 

fish 

9.3.3 Further information on 

adsorption/desorption 

9.3.4 Further information on 

the environmental fate and 

behaviour of the substance 

and/or degradation products 

9.4 Effects on terrestrial 

Organisms 

Relevance to 

Category 


Value 


see comments 

Yes Not applicable – 

see comments 


see comments 


see comments 

Comment 

always less 

bioaccumulative than the 

parent molecule. 

Consequently, it is 

concluded that for PBT 

and risk assessment 

purposes, the metabolites 

of hydrocarbons do not 

require any further 

assessment. 






















For all the major classes 

of hydrocarbons, the 

major metabolites are in 

most cases less toxic, and 

always less 

bioaccumulative than the 


Consequently, it is 

concluded that for PBT 

and risk assessment 

purposes, the metabolites 

of hydrocarbons do not 

require any further 

assessment. 

9.4.1 Short-term toxicity to 

invertebrates 

9.4.2 Effects on soil micro- 

Organisms 


see comments 


see comments 
















Endpoint 

9.4.3 Short-term toxicity to 

Plants 

9.4.4 Long-term toxicity 


9.4.6 (should be 9.4.5) 

Long-term toxicity testing on 

plants 

9.5.1 Long-term toxicity to 

Sediment organisms 

9.6.1 Long-term or 

reproductive toxicity to birds 

Relevance to 

Category 


Value 


see comments 


see comments 


see comments 


see comments 


see comments 

Comment 





































4. Conclusions per end point for C&L, PBT/vPvB and 

dose descriptor 

Physicochemical Properties (Section 7 of REACH Annexes VII-X) 

The hazard classification of category members with respect to physical-chemical properties is as 

follows: 

o ‘Harmful’ if: may cause lung damage if swallowed’ (R65) 

Toxicological Information (Section 8 of REACH Annexes VII-X) 

The hazard classification of category members with respect to toxicological properties is as follows: 

‘Harmful by inhalation’ (R20) 

 

 

‘Irritating to skin’ (R38) 

‘Limited evidence of a carcinogenic effect’ – Category 3 (R40) 

Eco-toxicological Information (Section 9 of REACH Annexes VII-X) 

The hazard classification of category members with respect to ecotoxicological properties is as 

follows: 



 

‘Toxic to aquatic organisms. May cause long-term adverse effects in the aquatic 

environment’ (R51/53) 

PBT/vPvB Assessment 

(Note: numbered in accordance with relevant CSR section) 

8.1. Assessment of PBT/vPvB Properties - Comparison with the Criteria of Annex XIII 

8.1.1. Persistence Assessment 

An evaluation of representative hydrocarbon structures indicate some structures meet the Persistent 

(P) or very Persistent (vP) criteria (see CONCAWE, 2010b). 

8.1.2. Bioaccumulation Assessment 

An evaluation of representative hydrocarbon structures indicates no structures meet the very 

Bioaccumulative (vB) criterion but some structures meet the Bioaccumulative (B) criterion (see 

CONCAWE, 2010b). 

8.1.3. Toxicity Assessment 

For representative hydrocarbons structures that were found to meet the P and B criteria, a toxicity 

evaluation was performed (see CONCAWE, 2010b). No structures relevant to petroleum substances 

were found to meet the toxicity criterion except anthracene which has been confirmed as a PBT 

substance. 

8.1.4. Summary and overall Conclusions on PBT or vPvB Properties 

Anthracene is not present in this substance at greater than 0.1% (CONCAWE, 2010b). No other 

representative hydrocarbon structures were found to meet the PBT / vPvB criteria. 

8.2. Emission Characterisation 

Emission Characterisation is not required because the substance does not fulfil the PBT / vPvB 

criteria (see CONCAWE, 2010b). 

Dose Desriptors (Health and Environment) 

Toxicity 

o Acute oral LD 50 > 7600 mg/kg 

o Acute Inhalation LC 50 > 4.1 mg/l 

o Acute dermal LD 50 > 4300 mg/kg 

o Short-term repeat dose dermal NOAEL 0.5 ml/kg 

o Sub-chronic repeat dose inhalation NOAEC >1710 mg/m 3 

o Sub-chronic repeat dose dermal NOAEL 30 mg/kg 

o Reproductive toxicity dermal NOAEL 125 mg/kg 

o Reproductive toxicity inhalation NOAEC > 401 ppm 

Ecotoxicity 

o Acute aquatic invertebrate EL 50 68 mg/l 

o Acute aquatic algae IL 50 22 mg/l 

o Acute aquatic fish LL 50 21 mg/l 

o Long-term invertebrate NOEL 0.21 mg/l 

o Long-term fish NOEL 0.083 mg/l 



Conclusion 

The data available for a range of vacuum gas oils, hydrocracked gas oils, & distillate fuels have been 

reviewed against the REACH data requirements for high tonnage (greater than 1,000t/a) chemicals. 

The category justification developed is considered applicable to all 17 UVCB substances identified in 

appendix 1 to this document and covers all endpoints. Using a ‘worst case’ approach, applicable 

values have been identified for the category and these can be used as the starting point for the 

derivation of classification and labelling proposals and DNEL and PNEC values required under 

REACH. 



Appendix 1 

Vacuum Gas Oil, Hydrocracked Gas Oil & Distillate Fuel – Category Members 

Note: Highlighted entries indicate CAS# for which tox/ecotox data are available in the dossier. 

The second table lists the supporting studies that have been used to read across to this 

category to predict the properties of this category. 

Substance 

Name 

Condensates 

(petroleum), 

vacuum tower 

EINECS Definition CAS# EINECS # 

A complex combination of hydrocarbons produced as the 

lowest boiling stream in the vacuum distillation of the 

residuum from atmospheric distillation of crude oil. It 

consists of hydrocarbons having carbon numbers 

predominantly in the range of C11 through C25 and boiling 

in the range of approximately 205°C to 400°C (401°F to 

752°F). 

64741-49-7 265-049-4 

Gas oils 

(petroleum), light 

vacuum 

A complex combination of hydrocarbons produced by the 

vacuum distillation of the residuum from atmospheric 

distillation of crude oil. It consists of hydrocarbons having 

carbon numbers predominantly in the range of C13 

through C30 and boiling in the range of approximately 

230°C to 450°C (446°F to 842°F). 

64741-58-8 265-059-9 

Distillates 


hydrocracked 

Gas oils 

(petroleum), 

hydrodesulfurized 

light vacuum 

A complex combination of hydrocarbons from distillation of 

the products from a hydrocracking process. It consists 

predominantly of saturated hydrocarbons having carbon 

numbers predominantly in the range of C10 through C18, 

and boiling in the range of approximately 160°C to 320°C 

(320°F to 608°F). 

A complex combination of hydrocarbons obtained from a 

catalytic hydrodesulfurization process. It consists of 

hydrocarbons having carbon numbers predominantly in 

the range of C13 through C30 and boiling in the range of 

approximately 230°C to 450°C (446°F to 842°F). 

64741-77-1 265-078-2 

64742-87-6 265-190-1 

Fuels, diesel 



carbon numbers predominantly in the range of C9 through 

C20 and boiling in the range of approximately 163°C to 

357°C (325°F to 675°F). 

68334-30-5 269-822-7 

Fuel oil, no. 2 

A distillate oil having a minimum viscosity of 32.6 SUS at 

37.7°C (100°F) to a maximum of 37.9 SUS at 37.7°C 

(100°F). 

68476-30-2 270-671-4 



Fuel oil, no. 4 

A distillate oil having a minimum viscosity of 45 SUS at 

37.7°C (100°F) to a maximum of 125 SUS at 37.7°C 

(100°F). 

68476-31-3 270-673-5 

Fuels, diesel, no. 

2 

A distillate oil having a minimum viscosity of 32.6 SUS at 

37.7°C (100°F) to a maximum of 40.1 SUS at 37.7°C 

(100°F). 

68476-34-6 270-676-1 

Gas oils 

(petroleum), 

hydrotreated light 

vacuum 

A complex combination of hydrocarbons that is obtained 

by treatment of light vacuum petroleum gas oils with 

hydrogen in the presence of a catalyst. It consists of 




92045-24-4 295-407-5 

Gas oils 


vacuum, solventdewaxed 

A complex combination of hydrocarbons obtained by 

deparaffinating a petroleum distillate under vacuum by 

solvent treatments. It consists predominantly of 


the range of C20 through C30 and produces a finished oil 

having a viscosity of between 20-25cSt at 40°C. 

92045-26-6 295-408-0 

Gas oils 

(petroleum), 

solvent-refined 

light vacuum 

A complex combination of hydrocarbons obtained as the 

raffinate from a solvent extraction process. It consists of 




92045-27-7 295-409-6 

Hydrocarbons, 

C16-20, solventdewaxed 

hydrocracked 

paraffinic distn. 

residue 

Gas oils, light 

naphthenic 

vacuum 

Hydrocarbons, 

C16-20, 

hydrotreated 

distillate, vacuum 

distn. lights 


solvent dewaxing of a distillation residue from a 

hydrocracked paraffinic distillate. It consists 

predominantly of hydrocarbons having carbon numbers 



932°F). It produces a finished oil having a viscosity of 

4.5cSt at approximately 100°C (212°F). 


vacuum distillation of a crude naphthenic. It consists 




752°F). It produces a finished oil having a viscosity of 

9.5cSt at 40°C (104°F). 

A complex combination of hydrocarbons obtained as first 

runnings from the vacuum distillation of effluents from the 

catalytic hydrotreatment of a distillate having a viscosity of 

2cSt at 100°C (212 °F). It consists predominantly of 


the range of C16 to C20 and boiling in a range of 


97675-88-2 307-662-2 

97722-01-5 307-750-0 

97722-05-9 307-754-2 



Hydrocarbons, 

C11-17, 

naphthenic 

middle 

Gas oils 


vacuum, carbontreated 

Gas oils 


vacuum, claytreated 


vacuum distillation of a naphthenic distillate having a 

viscosity of 2.2cSt at 40°C (104°F). It consists 




572°F). 

A complex combination of hydrocarbons obtained by the 

treatment of light vacuum petroleum gas oils with activated 

charcoal for the removal of traces of polar constituents and 

impurities. It consists predominantly of hydrocarbons with 

carbon numbers predominantly in the range of C13 

through C30. 

A complex combination of hydrocarbons obtained by the 

treatment of light vacuum petroleum gas oils with 

bleaching earth for the removal of traces of polar 

constituents and impurities. It consists predominantly of 


the range of C13 through C30. 

97722-07-1 307-756-3 

100684-22-8 309-693-7 

100684-23-9 309-694-2 



Supporting materials used in CJD : Included in another CONCAWE category (read across) 

Substance 

Name 

EINECS Definition CAS# EINECS # 

Distillates 

(petroleum), 

straight-run 

middle 



carbon number predominantly in the range C11 through 

C20 and boiling in the range of 205°C to 345°C (401°F to 

653°F). 

64741-44-2 265-044-7 

Distillates 


catalytic cracked 


distillation of products from a catalytic cracking process. It 




725°F). It contains a relatively large proportion of bicyclic 

aromatic hydrocarbons. 

64741-59-9 265-060-4 

Distillates 

(petroleum), 

hydrodesulfurized 

middle 

A complex combination of hydrocarbons obtained from a 

petroleum stock by treating with hydrogen to convert 

organic sulfur to hydrogen sulfide which is removed. It 




752°F). 

64742-80-9 265-183-3 



APPENDIX 2: Qualitative Exposure Estimation 



Appendix 2.a. 

Worker Exposure Estimate 


Gas Oils (Vacuum) 

4 DNEL (inhalation, 

aerosol, mg/m3) = 

68.3 DNELs (dermal) 

= mg/kg/d 

2.9 

Table 1: Mapping Uses in the Supply Chain 7 

Use Descriptor Tier 1 assumptions and adjustments Predicted Exposure - ECETOC 

where required 

TRA estimate 

User Group Contributing Scenarios 

Typical Mapped 

Operating Conditions 

CS Ref 

Typical Mapped RMMs Process OCs (red text Tier RMMs (red text 

Categoryequivalen 1 adjustments) additional Tier 1 

adjustments) 

Moderate Predicted Dermal 

dustiness (mg/kg/d) 

(mg/3) no 

LEV 

Manufacture of Industrial - General process CS15 Continuous; daily; 15 - 1 Closed processes PROC1 Closed >4 hours, ambient Closed process. 0.01 0.34 

substance SU8/9/3 exposures (no 

hour; product temp. 

process (no temp. 

No exposure. 

sampling) 

Outdoor 

sampling) 

Combine in narrative Industrial - General process CS15 Continuous; daily; 15 Enclosed process; PROC2 Closed >4 hours, ambient No LEV 1 1.37 

with row above SU8/9/3 exposures and sample 

mins - 1 hour; product Outdoor location; continuous process temp. 

collection 

temp. Outdoor closed/semi-closed (with sampling) 

sampling point 

Industrial - General process CS15 Batch process; daily; 15 - Closed equipment, PROC3 Closed >4 hours, ambient No LEV 3 0.34 

SU8/9/3 exposures 

1 hour; product temp.; enclosed or vented batch process (with temp. 

Indoor/Outdoor sampling points sampling) 

Industrial - General exposures CS16 Daily; 15 - 1 hour; Enclosed transfers, clear PROC4 batch >4 hours, ambient No LEV 5 6.86 

SU8/9/3 open batch process 

product temp.; lines prior to decoupling process with temp. 

Indoor/Outdoor 

exposure 

Industrial - Sample collection CS2 Daily; 4 hours, ambient No LEV 3 0.34 

SU8/9/3 

temp.; Indoor/Outdoor sampling points batch process (with temp. 

sampling) 

Industrial - Laboratory activities CS36 Daily; 15 mins - 1 hour; Fume cupboard. PPE. PROC15 Use in >4 hours, ambient No LEV 5 0.34 

SU8/9/3 

product temp.; Indoor 

laboratory temp. 

Industrial - Bulk transfers (closed CS501 Daily; 15 - 1 hour; Enclosed transfers, clear PROC8b >4 hours, ambient No LEV 5 6.86 

SU8/9/3 systems) e.g bottom 

product temp.; lines prior to decoupling Dedicated temp. 

loading 


discharging to/from 

vessels 

Industrial - Bulk transfers (open CS503 Daily; 1-4 hrs hour; Enclosed transfers, PROC8b 

daily; ambient No LEV 5 6.86 

SU8/9/3 systems) 

product temp.; vented transfer points; Dedicated temp. 

Indoor/Outdoor clear lines prior to discharging to/from 

decoupling 

vessels 

Industrial - Clean down and CS39 Daily; 15 mins -1 hour; Enclosed lines; retain PROC8a Nondedicated 

temp. 

>4 hours; ambient No LEV 10 13.71 

SU8/9/3 Maintenance 

product temp; collection wash down in sealed 

of line waste in storage pending disposal discharging to/from 

container; 

or use as recycled vessels 

Indoor/Outdoor material for subsequent 

formulation. PPE. 

Industrial - Bulk Storage CS85 Daily; 8 hrs; product samples collected at PROC1/2 Closed daily; ambient outdoor activity 1 1.37 

SU3/ SU10 

temp; 

dedicated sample point continuous process temp. 

(sometimes with 

sampling) 

Distribution of Industrial - General process CS15 Continuous; Outdoor; Closed process. No PROC1 Closed >4 hours, ambient Closed product. 0.01 0.34 

substance SU3 

exposures - closed 

daily; 15 - 1 hour; exposure. 


No exposure. 

process (e.g. In-line 

product temp. 

sampling) 

additive dosing 

equipment, in-line filter 

cleaning) 

Combine in narrative Industrial - General process CS15 Continuous; Outdoor; Enclosed process; PROC2 Closed >4 hours, ambient No LEV 1 1.37 

SU3 

exposures (occasional 

daily; 15 mins - 1 hour; closed/semi-closed continuous process temp. 

controlled exposure) 

product temp. 


(with sampling) 

Industrial - General process CS15 Batch process; Outdoor; Closed equipment, PROC3 Closed >4 hours, ambient No LEV 3 0.34 

SU3 


daily; 15 - 1 hour; enclosed or vented batch process (with temp. 

batch process 

product temp. 

sampling points sampling) 

Industrial -SU3 General exposures CS16 Daily; Indoor/Outdoor; Enclosed transfers, clear PROC4 batch >4 hours, ambient No LEV 5 6.86 

open batch process 

15 - 1 hour; product lines prior to decoupling process with temp. 

temp. 

exposure 

Industrial - Sample collection CS2 Daily; 4 hours, ambient No LEV 3 0.34 

SU3 

temp.; Outdoor; sampling points batch process (with temp. 

sampling) 

Industrial - Laboratory activities CS36 Daily; 15 mins - 1 hour; Fume cupboard. PPE. PROC15 Use in >4 hours, ambient No LEV 5 0.34 

SU3 



t

Industrial - 

SU8/9/3 

Combine in narrative Industrial - 

as Bulk Transfer SU3 

CS14 unless 

differentiation 

required in practice 

Industrial - 

SU3 

Industrial - 

SU3 

Industrial - 

SU3 

Industrial - 

SU3 

Formulation & Industrial - 

(re)packing of SU3/SU10 

substances and 

mixtures 

Combine in with Industrial - 

above row in SU3/ SU10 

narrative 

Industrial - 

SU3/ SU10 

Industrial - 

SU3/ SU10 

Industrial - 

SU3/ SU10 

Industrial - 

SU3/ SU3 

Industrial - 

SU3/ SU10 


SU3/ SU10 

Industrial - 

SU3/ SU10 


SU3/ SU10 

Industrial - 

SU3/ SU10 

Bulk transfers (closed CS501 Daily; 15 - 1 hour; 

systems) e.g bottom 

product temp.; 

loading 


Bulk closed loading and CS503 Outdoor; Daily; 15 - 1 

unloading NEW CS 

hour; product temp.; 

(e.g. road/rail car 

exposure potential 

bottom 

during breaking of hose 

loading/unloading; 

connection 

marine vessel/barge 

loading/unloading;) 

Bulk open loading NEW CS503 Outdoor; Daily; 1 - 4 

CS (e.g. road/rail car 

hours; product temp; 

top loading, may 

exposure potential from 

involve LEV) 

vapour emissions from 

tank opening 

Drum and small CS6 Indoor; Continuous; 

package filling 

daily; 8 hour; product 

temp. 

Clean down and CS39 Daily; 15 min - 1 hour; 

Maintenance 

product temp; collection 

of line waste in container 

Storage CS67 Daily; 8 hrs; product 

temp; Outdoors 

General process CS15 Continuous; daily; 15 - 1 

exposures (no 


sampling) (e.g. In-line 



cleaning) 

General process CS15 Continuous; daily; 15 

exposures and sample 

mins - 1 hour 

collection 

General process 

exposures (e.g. In-line 



cleaning) 

CS15 Batch process; daily; 15 - 

1 hour; product temp. 

General exposures CS16 Daily; Indoor; 15 - 1 



Sample collection CS2 Daily; 4 hours, ambient 

temp. 

>4 hours, ambient 

temp. 

daily; ambient 

temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 

No LEV 5 6.86 

No LEV 5 6.86 

No LEV 5 6.86 

No LEV 5 6.86 

No LEV 10 13.71 

outdoor activity 1 1.37 

Closed process. 0.01 0.03 

No LEV 1 1.37 

No LEV 3 0.34 

No LEV 5 6.86 

No LEV 3 0.34 

No LEV 5 0.34 

No LEV 5 6.86 

No LEV 5 13.71 

With LEV 25 0.07 

No LEV 10 13.71 

No LEV 5 6.86

Industrial - Tabletting, 

CS100 Indoor; daily; 8 hours; LEV, PPE PROC14 

SU3/ SU10 compression, extrusion 

product temp. 

Production of 

or pelletisation 

preparation by 

tabletting, 

compression, 

Industrial - Drum and small CS6 Indoor, Continuous; Enclosed transfers, PROC9 Transfer 

SU3/ SU10 package filling 

daily; 8 hour; product vented transfer points of 

temp. 

substance/mixture 

into small 

containers 

Industrial - Clean down and CS39 Indoor, Daily; 1 - 4 Enclosed lines; retain PROC8a Nondedicated 

SU3/ SU10 Maintenance 

hours; product temp; wash down in sealed 

collection of line waste storage pending disposal discharging to/from 

in container 


material for subsequent 


Industrial - Storage CS67 Daily; 8 hrs; product samples collected at PROC1/2 Closed 

SU3/ SU10 

temp; 

dedicated sample point continuous process 


sampling) 

Uses in Coatings Industrial -SU3 General exposures CS15 ] Continuous; daily; 8hour Enclosed process; 1/2 -Use in closed, 

(closed systems) CS15 [CS56] 

closed/semi-closed continuous 

] with sample collection 


process with occasional 

controlled 

[CS56]. 

exposure (e.g. 

sampling) 

Industrial - Bulk transfers CS14 Daily; 15 min - 1 hour; Enclosed transfers, PROC8b 

SU3/ SU10 

product temp; collection vented transfer points; Dedicated 

of line waste in container clear lines prior to discharging to/from 

decoupling 

vessels 

Industrial -SU3 Film formation - force [CS 94] enclosed in situ in 2 -Use in closed, 

drying (50 - 100°C). 

workplace 

continuous 

Stoving (>100°C). 


controlled 

UV/EB radiation curing. 

[CS 94] 


sampling) 

Industrial -SU3 Film formation - air [CS95] 4 - Use in batch 

drying. [CS95] 

and other process 

(synthesis) where 

opportunity for 

exposure arises 

Industrial -SU3 Preparation of material [CS 96] 

liquid/ powder products) - 5 - Mixing or 

for application. [CS 96] [CS30] 

batch, indoor/ outdoor. blending in batch 


processes for 

systems) [CS30] 

formulation of 

preparations and 

combine Industrial -SU3 Spraying 

[CS97] Daily; >4 hours, product Enclosed. Vented spray 7 -Industrial 

(automatic/robotic). 

temp (ambient) booth; specific workforce spraying 

[CS97] 

education, PPE 

Industrial -SU3 Spraying 




[CS97] vapours 


combine Industrial -SU3 Manual spraying. [CS24] Open , Air supplied 7 -Industrial 

[CS24] 

masks, respirator. spraying 

Industrial -SU3 Manual spraying. [CS24] Open , Air supplied 7 -Industrial 



Industrial -SU3 Material transfers. CS3 Daily; 15 min - 1 hour; Enclosed transfers, 8b -Transfer of 

[CS3]. 

product temp (ambient); vented transfer points; chemicals from/to 

collection of line waste clear lines prior to vessels/ large 

in container. outdoor/ decoupling 

containers at 

indoor. 

dedicated facilities. 

Industrial -SU3 Roller, spreader, flow [CS69] Daily; >4 hours, product Local exhaust ventilation 10 - Roller 

application. [CS69] 

temp. (ambient); Range at rollers; remove spills application or 

from 2-3% upto 40-50% as they occur, PPE. brushing 

Large scale (open 

equipment) 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 

> 4 hours; daily; 

ambient temp. 


ambient temp. 


temp. 


ambient temp. 

No LEV 5 3.43 

No LEV 5 6.86 

No LEV 10 13.71 


No LEV 1 0.03 

No LEV 5 6.86 

No LEV 10 1.37 

No LEV 5 6.86 

No LEV 5 13.71 

With LEV. 20 2.14 

With LEV. 100 2.14 

No LEV 20 21.85 

No LEV 100 21.85 

No LEV 5 6.86 

With LEV. 5 27.43

Industrial -SU3 Dipping, immersion [CS4] Daily; >4 hours, product Local exhaust ventilation 13 -Treatment of 

and pouring. [CS4] 

temp. (ambient) at open surface; remove articles by dipping 

spills as they occur, PPE and pouring 

Industrial -SU3 Laboratory activities [CS36] small scale activities 

15 - Use of 

[CS36] 

small amount, daily 15 

laboratory 

min 

reagents in small 

scale laboratories 

Industrial -SU3 Material transfers [CS3]. [CS8]. Daily; 15 min - 1 hour; wear goggles and gloves 9 -Transfer of 

[CS3]. Drum/batch [CS22]. product temp; 

chemicals into 

transfers [CS8]. 

small containers 

Transfer from/pouring 

(dedicated filling 

from containers [CS22]. 

line) 

Industrial -SU3 Production of 

[CS100]. Daily; 15 min - 1 hour; wear goggles and gloves 14 - Production of 

preparations or articles 

product temp (ambient); 

preparations or 

by tabletting, 

articles by 


tabletting, 

pelletisation [CS100]. 

compression, 

extrusion, 





in container 





SU3/ SU10 

temp; 



sampling) 

Uses in Coatings Professional - Filling / preparation of [CS45] closed, continuous PROC8b 

SU22 equipment (from drums 

Dedicated 

or containers). CS45] 


vessels 

Professional - General exposures [CS15 ] Continuous; daily; 8hour Enclosed process; PROC1/2 Closed 

SU22 (closed systems) 

closed/semi-closed continuous process 

[CS15]. Use in 



contained systems 

[CS38] 

Professional - Preparation of material [CS 96]. 

closed, continuous 3 - Use in closed 

SU22 for application. [CS 96]. [CS29]. 

batch process 

Mixing operations 

(synthesis or 

(closed systems) 

formulation) 

[CS29]. 

Combined Professional - Film formation - air [CS95]. outdoor 4 - Use in batch 

SU22 drying. [CS95]. Outdoor [OC9]. 


[OC9]. 




Professional - Film formation - air [CS95]. Daily; >4 hours, product Good general ventilation 4 - Use in batch 

SU22 drying. [CS95]. Indoor [OC8]. temp (ambient); Indoor (equivalent to outdoors) and other process 

[OC8]. 

supplemenetd with LEV (synthesis) where 



Combined Professional - Preparation of material [CS 96] . indoor, outdoor with and batch, indoor. With and 5 -Mixing or 

SU22 for application. [CS 66] [CS30]. without LEV, 1 - 4 hours without LEV. 

blending in batch 

Mixing operations (open [CS9]. [OC8]. 

processes 

systems) [CS30]. 

(multistage and/or 


significant contact) 

containers [CS9]. 

Indoor [OC8]. 

Professional - Preparation of material [CS 96] Outdoor; 1 - 4 hours 5 -Mixing or 

SU22 for application. [CS 66] [CS30] [CS9] 


Mixing operations (open [OC9] 

processes 






Outdoor [OC9]. 

Professional - Material transfers. [CS3] Daily; 15 mins - 1 hour; Pumped transfer from 8a -Transfer of 

SU22 [CS3]. Pumped [CS107] product temp (ambient), drum to equipment. with chemicals from/to 

Drum/batch transfers [CS8] indoor, outdoor and without LEV vessels/ large 

[CS8]. 

containers at non 

dedicated facilities 

comined Professional - Roller, spreader, flow [CS98] [OC8] indoor, Daily, > 4 hours 10 - Roller 

SU22 application. [CS69]. 

application or 

Indoor [OC8]. 

brushing 

Professional - Roller, spreader, flow [CS98]. outdoor, Daily, >4 hours PPE 10 - Roller 

SU22 application. [CS69]. [OC9]. 



brushing 


temp. 

No LEV 1 6.86 


temp. 

No LEV 0.5 0.34 


temp. 

No LEV 5 6.86 


temp. 

No LEV 5 3.43 


temp. 

No LEV 10 13.71 


temp. 



temp. 

No LEV 5 6.86 


temp. 

No LEV 1 1.37 


temp. 

No LEV 1 0.34 

8 hrs No LEV 5 6.86 gloves 


temp. 

No LEV 5 6.86 gloves 


temp. 

No LEV 5 13.71 


temp. 

No LEV 5 13.71 


temp. 

No LEV 5 13.71 

> 4 hours; daily; With LEV 5 16.46 

ambient temp; 

4 hours; daily; 

ambient temp. 

No LEV 5 16.46

Combined Professional - Manual spraying. [CS24] [OC8]. Daily; >4 hours, Vented spray booth; 11- Non industrial 

SU22 [CS68] . Indoor [OC8]. 

Indoors, 

specific workforce spraying 


Professional - Manual spraying. [CS24] [OC8]. Daily; >4 hours, Vented spray booth; 11- Non industrial 


Indoors, 


vapour phase 


Combined Professional - Manual spraying. [CS24] outdoor , 4 hour PPE 11- Non industrial 

SU22 [CS68] . Outdoor .[OC9]. 

spraying 

[OC9]. 

Professional - Manual spraying. [CS24] outdoor , 4 hour PPE 11- Non industrial 


spraying 

[OC9]. vapour phase 

Combined Professional - Dipping, immersion [CS4] [OC8] Daily; >4 hours, product Local exhaust ventilation 13 -Treatment of 

SU22 and pouring. [CS4]. 

temp (ambient) at open surface; remove articles by dipping 

Indoor [OC8]. 


Professional - Dipping, immersion [CS4] [OC9] Daily; >4 hours, product PPE 13 -Treatment of 


temp (ambient), outdoor. 

articles by dipping 


and pouring 

Professional - Laboratory activities [CS36] Daily; >4 hours, product 

15 - Use of 

SU22 [CS36] 

temp (ambient) 

laboratory 



Combined Professional - Hand application - [CS72] [OC8] Daily; >4 hours, product indoor 19 - Hand-mixing 

SU22 fingerpaints, pastels, 


with intimate 

adhesives [CS72]. 

contact (only PPE 

Indoor [OC8]. 

available 

Professional - Hand application - [CS72]. 15 minutes; product outdoor, PPE 19 - Hand-mixing 

SU22 fingerpaints, pastels, [OC9]. temp (ambient) 

with intimate 




available 

Professional - Clean down and CS39 Daily; >4 hours vessel entry procedures, PROC8a 

SU22 Maintenance 

retain wash down in Discharging 

sealed storage pending to/from vessels 

disposa,. PPE. 

Professional - Storage CS67 Daily; 8 hrs; ambient samples collected at PROC1 Closed 

SU22 

temp; 



Use as a fuel Industrial -SU3 Bulk transfers (barge, CS14 Daily; 1 - 4 hours; Enclosed transfers, clear PROC8b 

rail and road) 

ambient temp. lines prior to decoupling Dedicated 

Discharging 

to/from vessels 

Industrial -SU3 Transfers from drums CS8 Daily; 1 - 4 hours; Pumped transfer from PROC8b 

and containers 

ambient temp. drum to equipment Dedicated 

Discharging 



temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 

With LEV. 20 2.14 

With LEV. 100 2.14 

No LEV,

Combine in narrative Industrial -SU3 General use exposures CS15 Daily; >4 hours Closed equipment PROC1 & 2 Use 

as a fuel 

as a fuel 

Industrial -SU3 Use a fuel GES16, Daily; >4 hours, to 100% Closed equipment PROC16 - use as 

CS107 

a fuel 

Industrial -SU3 Use a fuel additive GES16, Daily; >4 hours, to 100% Closed equipment PROC3 Closed 

diluent 

CS107 

batch process (with 

sampling) 

Industrial -SU3 Vehicle/boiler CS39 Daily; >4 hours, to 100% PPE. Operator training. PROC8a Nondedicated 

maintenance 

(changed 

from CS5) 

Discharging 


Industrial -SU3 Cleaning fuel storage CS103 Infrequent; >4 hours vessel entry procedures, PROC8a 

tanks 



disposal,. PPE. 

Industrial -SU3 Storage CS67 Daily; 8 hrs; ambient samples collected at PROC1/2 Closed 

temp; 



sampling) 

Use as a fuel Professional - Bulk transfers (e.g. CS14 Daily; 1-4 hour; ambient Enclosed transfers, clear PROC8b 

SU22 heating oil and diesel 

temp., Outdoors lines prior to decoupling Dedicated 

deliveries) 

Discharging 


Professional - Transfers from drums CS8 Daily; 15 mins - 1 hour; Pumped transfer from PROC8b 

SU22 and containers 

ambient temp 

drum to equipment Dedicated 

Discharging 


Professional - Refuelling vehicles, CS507 Daily; >4 hours, to 100% Pumped transfer to PROC8b 

SU22 light aircraft or marine 

vehicle 

Dedicated 

Discharging 


Combine in narrative Professional - General use exposures CS15 Daily; >4 hours Closed equipment PROC1 & 2 Use 

SU22 as a fuel 

as a fuel 

Professional - Use a fuel additive GES16, Daily; >4 hours, Closed equipment PROC3 Closed 

SU22 diluent 

CS107 


sampling) 

Professional - Use a fuel GES16, Daily; >4 hours Closed equipment PROC16 - use as 

SU22 

CS107 

a fuel 

Professional - Equipment 

CS39 Daily; >4 hours PPE. Operator training. PROC8a 

SU22 maintenance e.g. 

Discharging 

Vehicle, boiler, pump 


maintenance, pump 

calibration 

Professional - Vessel / container CS103 Daily; >4 hours vessel entry procedures, PROC8a 

SU22 cleaning 





SU22 

temp; 



Use as a lubricant Industrial -SU3 General exposures CS15 Continuous; daily; Closed processes PROC1 and 

from enclosed 

ambient temp. 

PROC2 Closed 

processes 

process 

Combine in narrative Industrial -SU3 General exposures CS15 Continuous; daily; Enclosed process; PROC3 Closed 

with row above 

from closed processes 

ambient temp. closed/semi-closed batch process (with 


sampling) 

Combine in narrative Industrial -SU3 General exposures CS16 Continuous; daily; Enclosed transfers, with PROC4 Batch 

from open processes 

ambient temp. lev at mixing vessels process with 

exposure 

Industrial -SU3 General exposures CS16 Continuous; daily; Enclosed transfers, PROC4 Batch 


ambient temp. 

process with 

(vapour phase) 

exposure 


temp. 

> 4 hours daily; 

ambient temp. 


ambient temp. 


ambient temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


ambient temp. 


ambient temp. 


ambient temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 

No LEV 1 1.37 

No LEV 1 0.03 

No LEV 1 0.34 

No LEV 5 13.71 

No LEV 5 13.71 


No LEV 5 6.86 

No LEV 5 6.86 

No LEV 5 6.86 

No LEV 1 1.34 

No LEV 1 0.34 

No LEV 20 0.34 

No LEV 5 13.71 

With supplied air 

ventilation, PTW 

5 13.71 

outdoor activity 0.01 0.34 

No LEV 0.5 1.37 

No LEV 1 0.34 


With LEV 5 0.69

Industrial - Bulk transfers CS14 Daily; 15 min - 1 hour; 

SU3/ SU10 



Combine in narrative Industrial -SU3 Filling preparation of CS45 Daily; 15 mins - 1 hour; 

equipment from drums 

ambient temp 

or containers 

Industrial -SU3 Filling preparation of CS45 Daily; 15 mins - 1 hour; 


ambient temp 

or containers 

Industrial -SU3 Initial Factory fill of CS75 Continuous; 8 hours; 

equipment 

daily; ambient temp. 

Combine in narrative Industrial -SU3 Operation and 

CS17 Indoor, Daily; 8 hours; 

lubrication of high 

ambient temp. 

energy open equipment 

Industrial -SU3 Operation and 

CS17 Continuous; daily; 


ambient temp. 






ambient temp. 





ambient temp. 



Industrial -SU3 Manual roller 

CS13 Indoor, Daily; 8 hours, 

application or brushing 

ambient temp, 

Automated 

replenishment of roller 

or brush 

Industrial -SU3 Treatment of articles by CS35 Indoor, Daily; 8 hours, 

dipping and pouring 

ambient temp, automatic 

dipping in a bath 

Combine in narrative Industrial -SU3 Spraying CS10 Indoor, Daily; 8 hours, 

ambient temp, 

automated spraying 

Industrial -SU3 Spraying (vapour CS10 automatic spraying at 

phase) 

room temperature 

continuous 

Combine in narrative Industrial -SU3 Maintenance (of larger CS77 Daily; 1-4 hours; 

plant items) and 

ambient temp; 

machine set-up 

Industrial -SU3 Maintenance (of larger CS77 Daily; 1-4 hours; 


Elevated temp (30o 


above ambient) 

Industrial -SU3 Draining equipment CS18 Daily; 1 - 4 hours; 

(small items) 

ambient temp. 

Enclosed transfers, PROC8b 


vented transfer points; Dedicated temp. 

clear lines prior to discharging to/from 

decoupling 

vessels 

Manual filling of PROC8a Nondedicated 

temp. 

4 hours, ambient 

openings; extract Lubrication at high temp. 

ventilation to emission energy conditions 

points; PPE 

Restrict area of PROC 17 >4 hours, ambient 



points; PPE 

Restrict area of PROC 18 - >4 hours, ambient 

openings; extract Greasing at high temp. 


points; PPE 




points; PPE 

PPE PROC 10 Roller or >4 hours, ambient 

brush application temp. 

Cabinet to allow the PROC 13 Dipping >4 hours, ambient 

dipping and the dripping and pouring temp. 

of the pieces. PPE 

LEV, Spraying cabinet PROC 7 >4 hours, ambient 

with capture of the 

temp. 

aerosols, PPE 

spraying cabinet with PROC 7 >4 hours, ambient 

capture of the aerosols 

temp. 

Enclosed 

PROC8b >4 hours, ambient 

transfers,vented transfer Discharging temp. 

points; clear lines prior to to/from vessels 

decoupling; PPE (dedicated) 

Enclosed transfers, PROC8b >4 hours, ambient 

vented transfer points; Discharging temp. 

clear lines prior to to/from vessels 


Retain drainings in PROC8a

Industrial -SU3 Remanufacture of CS19 Daily; 1-4 hours; Retain drainings in PROC9 - Transfer 

reject articles 

ambient temp; sealed storage pending of chemicals into 

disposal. PPE. 



temp; 



sampling) 

Use as a lubricant Professional - General exposures CS15 Continuous; daily; Closed processes PROC1 and 

SU22 from enclosed 

ambient temp. 

PROC2 Closed 

processes 

process 

Combine with row Professional - General exposures CS15 Continuous; daily; Enclosed process; ; PROC3 Closed 

above in narrative SU22 from closed processes 



sampling) 

Professional - Operation of equipment CS26 Daily; >4 hours, ambient None. Fluid inside PROC 20 Heat 

SU22 containing engine oils 

equipment 

and pressure 

and similar 

transfer fluids 


PROC4 not in ATIEL Professional - General exposures CS16 Continuous; daily; Enclosed transfers, PROC4 Batch 

mapping 

SU22 from open processes 

ambient temp. 

process with 

exposure 

Combine in narrative Professional - General exposures CS16 Continuous; daily; Enclosed transfers, PROC4 Batch 


ambient temp. 

process with 


exposure 

Professional - Bulk transfers (e.g. CS14 Daily; 1-4 hour; ambient Enclosed transfers, clear PROC8b 

SU22 deliveries to 

temp. 

lines prior to decoupling Dedicated 

dealerships) 

Discharging 


Professional - Filling preparation of CS45, CS81 Daily; 15 mins - 1 hour; Pumped transfer or use PROC8b 

SU22 equipment from drums 

ambient temp 

of dedicated container. Discharging 

or containers - 

Eye protection, Gloves, to/from vessels 

dedicated facility 

Apron 

(dedicated) 

Professional - Filling preparation of CS45, CS82 Daily; 15 mins - 1 hour; Pumped transfer or use PROC8a Nondedicated 


ambient temp 

of dedicated container. 

or containers - non 

Eye protection, Gloves, discharging 


Apron 

Combine in narrative Professional - Operation and 

CS17, OC8 Continuous; daily; Restrict area of PROC 17 

SU22 lubrication of high (indoor) ambient temp. Indoors openings; extract Lubrication at high 



points 

Professional - Operation and 


SU22 lubrication of high 

ambient temp. openings; extract Lubrication at high 




points 


CS17, OC8 Continuous; daily; Restrict area of PROC 18 - 


ambient temp. openings; extract Greasing at high 



points 








points 

Covers total loss Professional - Operation and 

CS17, OC9 Continuous; daily; Total loss systems PROC 17 

equipment with spray SU22 lubrication of high (outdoor) ambient temp. Outdoors 

Lubrication at high 

potential, e.g. chain 

energy open 

energy conditions 

saws 

equipment, e.g. chain 

saw 




ambient temp. 





Combine in narrative Professional - Maintenance and 

CS77 Daily; 1-4 hours; Enclosed 

PROC8b 

SU22 machine set-up 

ambient temp; transfers,vented transfer Dedicated 

points;; clear lines prior discharging to/from 

to decoupling 

vessels 


temp. 


temp. 


temp. 


temp. 


ambient temp. 


temp. 


temp. 


temp. 


temp. 

1-4 hours, 

ambient temp. 

1-4 hours, 

ambient temp. 

1-4 hours daily; 

ambient temp. 

No LEV 5 6.86 


No LEV 3 1.37 

No LEV 3 0.34 

No LEV 5 1.71 



No LEV 5 4.12 

No LEV 5 6.86 

No LEV 5 6.86 





No LEV, 

50 8.39 

Outdoors 

No LEV, 

50 8.39 

Outdoors 

No LEV 5 6.86

Professional - Maintenance and 

CS77 Daily; 1-4 hours; Enclosed transfers, PROC8b 1-4 hours daily; 


Elevated temp (30o vented transfer points; Discharging elevated temp. 

above ambient) clear lines prior to to/from vessels 

decoupling 

(dedicated) 

Professional - Draining equipment CS18 Daily; 1-4 hours; Retain drainings in PROC8a 1-4 hours daily; 

SU22 (small items) e.g. 

Elevated temp (30o sealed storage pending Discharging elevated temp. 

engine drains 

above ambient) disposal. PPE. 


non dedicated 

Professional - Engine lubricant service CS78 Daily; 1-4 hours; None PROC9 - Transfer daily; ambient 

SU22 - to cover small 

ambient temp; 

of chemicals into temp. 

additions of oil to 


engines 

Combine in narrative Professional - Manual roller 

CS13 Indoor, Daily; 8 hours, PPE. If LEV applied (to PROC 10 Roller or >4 hours, ambient 

1. LEV 

SU22 application or brushing 

product temp (ambient); provide options for RMM) brush application temp. 

of coatings CS13 

Automated 


or brush 

2. General ventilation Professional - Manual roller 

CS13 Indoor, Daily; 8 hours, PPE PROC 10 Roller or >4 hours, ambient 


product temp (ambient), 



Automated 


or brush 

3. RPE Professional - Manual roller 

CS13 Indoor, Daily; 8 hours, PPE. If ventilation PROC 10 Roller or >4 hours, ambient 


product temp (ambient), inadequate and RPE brush application temp. 


Automated 

applied (to provide 

replenishment of roller options for RMM) 

or brush; Solvent 

concentration 95% or 

greater for cleaners/ 

Combine in Professional - Spraying CS10 CS10 Indoor or outdoor, Daily; Respiratory protection, PROC 11 Spraying >4 hours, ambient 

narrative. 

SU22 

15 min - 1 hour, product eye protection, gloves. If - non-industrial temp. 

1. LEV 

temp (ambient), LEV applied (to provide 

selection of spray options for RMM) 

nozzles to avoid small 

droplet size to minimise 

product losses 

Vapour phase Professional - Spraying CS10 >4 hours, ambient 

Value for low SU22 

temp. 

volatility liquid 

applied 

Combine in narrative Professional - Spraying CS10 CS10 Indoor or outdoor, Daily; Respiratory protection, PROC 11 Spraying >4 hours, ambient 

with 'alternative' SU22 

15 min - 1 hour, product eye protection, gloves - non-industrial temp. 

phrases 

temp (ambient), 

2. General ventilation 

selection of spray 

and RPE 




Vapour phase Professional - 



temp. 


applied 

Professional - Treatment of articles by CS35 Indoor, Daily; 8 hours, Cabinet to allow the PROC 13 Dipping >4 hours, ambient 

SU22 dipping and pouring 

ambient temp, automatic dipping and the dripping and pouring temp. 

(CS35) 

dipping in a bath of the pieces. PPE 

Professional - Storage CS67 Daily; 8 hrs; ambient samples collected at PROC1 Closed daily; ambient 

SU22 

temp; 



Metal working Industrial -SU3 General exposures CS15 Indoor, Daily; 8 hour; Closed processes PROC1 and >4 hours, ambient 

fluids / rolling oils 


ambient temp. 

PROC2 Closed temp. 

process 

Industrial -SU3 General exposures CS15 Indoor, Daily; 8 hour; Enclosed process; ; PROC3 Closed >4 hours, ambient 

(closed systems) , 

ambient temp. closed/semi-closed batch process (with temp. 

including closed EDM 


sampling) 

processes 

No LEV 25 0.69 

No LEV 50 13.71 

No LEV 5 6.86 

No LEV 5 27.43 

No LEV 5 27.43 

No LEV 5 27.43 


With LEV 100 2.14 

No LEV 20 64.2 

No LEV 100 64.2 



No LEV 0.5 1.37 

No LEV 1 0.34

Industrial - General exposures CS16 Daily; Indoor; 15 - 1 Enclosed transfers, clear PROC4 Batch >4 hours, ambient 

SU3/ SU10 open batch process, 

hour; product temp. lines prior to decoupling process with temp. 

including open EDM 

exposure 

processes 

Industrial -SU3 Bulk transfers CS14 Indoor, Daily; 15 mins - Enclosed transfers, clear PROC8b 


1 hour; product temp lines prior to decoupling Dedicated temp. 

(ambient) 


vessels 

Combine in Industrial -SU3 Filling preparation of CS45 Indoor, Daily; 15 mins - Pumped transfer or use PROC8b 4 hours; ambient 


1 hour; product temp of dedicated container. blending in batch temp. 

or containers (CS45) - 

(ambient) 

Eye protection, Gloves, process 

(ATIEL identified 3 

Apron 

PROCs for this activity) 

Industrial -SU3 Filling preparation of CS45 Indoor, Daily; 15 mins - Pumped transfer or use PROC9 Dedicated >4 hours, ambient 


1 hour; product temp of dedicated container. filling line temp. 

or containers (ATIEL 

(ambient) 

Eye protection, Gloves, 

identified 3 PROCs for 

Apron 

this activity) 

Industrial -SU3 Process sampling. CS2 Indoor, Daily; 15 mins - Dedicated pipette. No PROC3 Closed >4 hours, ambient 

Drawing sample into a 

1 hour; product temp hand immersion. PPE batch process (with temp. 

pipette for testing 

(ambient) 

sampling) 

Industrial -SU3 Metal Machining 

CS79 Indoor, Daily; 8 hours; Restrict area of PROC 17 >4 hours, ambient 

Operations 

product temp (ambient) openings; extract Lubrication at high temp. 


points; PPE 

Industrial -SU3 Treatment of articles by CS35 Indoor, Daily; 8 hours, Cabinet to allow the PROC 13 Dipping >4 hours, ambient 


product temp (ambient), dipping and the dripping and pouring temp. 

automatic dipping in a of the pieces. PPE 

bath 

Combine in narrative Industrial -SU3 Spraying CS10 Indoor, Daily; 8 hours, LEV, Spraying cabinet PROC 7 


product temp (ambient), with capture of the 

temp. 

automated spraying aerosols, PPE 

Vapour phase Industrial -SU3 >4 hours, ambient 

temp. 






Automated 


or brush 

Elevated 

Industrial -SU3 Automated metal 

CS80 Indoor. Continuous; Enclosed vented cabinet PROC2 >4 hours, ambient 

temperature 

rolling/forming 

daily; 8hour; elevated with blow off system to 

temp. 

therefore applied 

temperature (120 deg contain mist/vapour; 

value for medium 

C) from rolling 

product recovery and 

volatility 

operation; Remote recirculation; Gloves, 

operation 

eye protection, overalls. 

Elevated 

Industrial -SU3 Semi-automated metal CS83 Indoor. Continuous; LEV canopy; product PROC 17 - >4 hours, ambient 

temperature 


daily; 8hour; elevated recovery and 

lubrication at high temp. 


temperature (120 deg recirculation; Gloves, energy conditions 



eye protection, overalls. and in partly open 

volatility 

operation; manual 

process 

intervention 

Vapour phase. Industrial -SU3 >4 hours, ambient 

temp. 

Industrial -SU3 Oil/water-based PROC4 Open >4 hours, ambient 

batch process (with temp. 

sampling) 


No LEV 5 6.86 

No LEV 5 6.86 

No LEV 5 13.71 

No LEV 5 6.86 

No LEV 3 0.34 


No LEV 1 6.86 


With LEV 100 2.14 

No LEV 5 27.43 




With LEV 5 0.69

Note: differentiated Industrial -SU3 Equipment cleaning CS39 Indoor, Daily; 1 - 4 Enclosed transfer, clear PROC8b 

dedicated and nondedicated 

facility for 

Dedicated facility CS81 

retain drainings in sealed discharging to/from 

and maintenance - 

hours; ambient temp. lines prior to decoupling; Dedicated 

equipment cleaning - 

storage pending vessels 

both identified by 

disposal. PPE 

ATIEL - combined in 

narrative as CS39 

Industrial -SU3 Equipment cleaning 

Indoor, Daily; 1 - 4 Collect waste and retain PROC8a 

and maintenance -Nondedicated 

facility 

storage pending to/from vessels 

hours; ambient temp. drainings in sealed Discharging 

(CS82) 

disposal. PPE 

Industrial -SU3 Material Storage CS67 Continuous; daily; 8hour Enclosed process; PROC1/2 Closed 




sampling) 

Use as binders and Industrial -SU3 Bulk transfers from CS3 Daily; 1 - 4 hours; Enclosed transfers, clear PROCs 1-3 

release agents 

storage to mixing 

ambient temp. lines prior to decoupling contained 

vessels 

processes 

Industrial -SU3 Transfers to mixing CS8 Daily; 15 mins - 1 hour; Pumped transfer from PROC8b 

vessels from drums 

ambient temp 

drum to holding tanks. Discharging 


Industrial -SU3 Mixing / blending of CS29 Daily; >4 hours Enclosed or ventilated PROC3 Closed 

foundry sands with 

mixing vessel 


binder 

sampling) 

Industrial -SU3 Mixing / blending of CS30 Daily; >4 hours Enhanced general PROC4 Open 


ventilation 


binder 

sampling) 

Industrial -SU3 Forming moulds from CS31 Daily; >4 hours, ambient PPE PROC14 

foundary sand 

temp 

Production by 

tabletting, 

compression, 

Combine in narrative Industrial -SU3 Emissions from casting CS32, CS108 Daily; 1 - 4 hours; Enhanced general PROC6 Open 

into moulds 

elevated temp.sufficient ventilation, PPE processing at 

to create fume 

elevated 

temperature 

Industrial -SU3 Emissions from casting CS32, CS108 Daily; 1 - 4 hours; Enhanced general PROC6 Open 

into moulds (vapour 


phase) 


elevated 

temperature 

Combine in narrative Industrial -SU3 Applying release agent CS10, CS33 Daily; 1 - 4 hours; Enclosed or ventilated PROC7 

to moulds and 

ambient temp. production line. Application by 

shuttering 

Automation. 

spraying 

Industrial -SU3 Applying release agent CS10, CS33 Daily; 1 - 4 hours; Enclosed or ventilated PROC7 

to moulds and 


shuttering (vapour 

Automation. 

spraying 

phase) 

Industrial -SU3 Applying release agent CS13 Daily; 1 - 4 hours; PPE PROC10 Roller 

to moulds and 

ambient temp. 

application and 

shuttering 

brushing 

Combine in narrative Industrial -SU3 Applying release agent CS10, CS34 Daily; 1 - 4 hours; PPE, face mask PROC7 

to moulds and 

ambient temp. 

Application by 

shuttering 

spraying 

Industrial -SU3 Applying release agent CS10, CS34 Daily; 1 - 4 hours; PPE, face mask PROC7 

to moulds and 

ambient temp. 


shuttering (vapours) 

spraying 

Industrial - maintenance of CS5 Daily; 1-4 hours, work methods, drain prior PROC8a 

SU10 equipment 

ambient 

to work, retain spills, Discharging 

gloves 


(non-dedicated) 


temp; 



li ) 

Oil and gas field Industrial - SU3 Bulk transfers from tote CS14 Daily; 15 - 1 hour; Enclosed transfers, clear PROCs 1-3 

chemicals 

tanks and supply 

product temp (ambient). lines prior to decoupling contained 

vessels 

processes 

Industrial - SU3 Charge from drums CS45 Daily; 15 mins - 1 hour; Pumped transfer from PROC8b 

product temp (ambient) drum to holding tanks. Discharging 


(dedicated) 

Industrial - SU3 Drilling mud (re-) CS512 Daily; 1-4 hour; product Closed equipment, PROC3 Closed 

formulation 

temp (ambient); indoor enclosed or vented batch process with 

sampling points sampling 

Industrial - SU3 Drill floor operations CS513 Daily; 1-4 hour per PPE PROC4 Batch 

operator; product temp 

process with 

(ambient), outdoors 

exposure 

Combine Industrial - SU3 Operation of solids CS514 Daily; >4 hours; indoor; Local exhaust ventilation PROC4 Batch 

filtering equipment 

product temperature 

process with 

elevated temperature 

approx. 60 dC 

exposure 


ambient temp. 


ambient temp. 


temp. 


temp. 


temp. 


ambient temp. 


ambient temp. 


ambient temp. 


ambient temp. 


ambient temp. 


ambient temp. 


ambient temp. 


ambient temp. 


ambient temp. 


ambient temp. 

1-4 hours, 

ambient temp. 


temp. 


temp. 


temp. 


ambient temp. 


ambient temp. 


elevated product 

temperature 

No LEV 5 13.71 

No LEV 5 13.71 


No LEV 3 1.37 


No LEV 3 1.37 

No LEV 5 13.71 

No LEV 5 3.43 




With LEV 100 2.14 


No LEV 100 42.86 

No LEV 100 42.86 

No LEV 5 13.71 


No LEV 3 1.37 


No LEV 3 1.37 

No LEV 5 13.71 

With LEV. 25 0.69

Industrial - SU3 Operation of solids CS514 PROC4 Batch > 4 hours; daily; With LEV. 20 0.69 

filtering equipment - 

process with elevated product 

vapour phase 

exposure temperature 

exposures 

Industrial - SU3 Cleaning of solids CS47, CS514 Daily; 15 - 1 hour; Local exhaust ventilation PROC8a > 4 hours; daily No LEV 5 13.71 


product temp (ambient). 

Discharging 



Industrial - SU3 Treatment and disposal CS515 Daily; 1-4 hour per Local exhaust ventilation PROC4 Batch > 4 hours; daily With LEV. 5 0.69 

of filtered solids 


process with 

(ambient), outdoors; 

exposure 

Base oil content of 

cuttings 1-5% 

Industrial - SU3 Sample collection CS2 Daily; 4 hours daily; No LEV 3 1.37 

temp (ambient). or ventilated sampling batch process (with ambient temp. 

points 

sampling) 

Industrial - SU3 In-line injection (of CS15 Daily; >4 hours, product 

PROC1 and >4 hours, ambient No LEV 0.5 1.37 

process chemicals) by 

temp (ambient); Outdoor 


fixed dosing pumps 

continuous process 


Industrial - SU3 Application (of process CS9 Daily; 4 hours, product Local exhaust 

PROC4 Batch > 4 hours daily; No LEV 5 13.71 

operations 

temp (ambient); Outdoor ventilation; or Outdoor process with ambient temp. 

exposure 

Industrial - SU3 Clean down and CS39 Daily; 15 min - 1 hour; Enclosed lines; retain PROC8a Nondedicated 

ambient temp. 

1-4 hours, No LEV 5 13.71 

Maintenance 

product temp (ambient); wash down in sealed 


in container 




Industrial - SU3 General process CS15 Continuous; daily; 8hour Enclosed process; PROC1 and >4 hours, ambient No LEV 0.5 1.37 

exposures from 

closed/semi-closed PROC2 Closed temp. 

enclosed processes 




Industrial - SU3 Storage CS67 Continuous; daily; 8hour; Enclosed process; PROC1 and daily; ambient outdoor activity 0.5 0.14 

product temp. (ambient) closed/semi-closed PROC2 Closed temp. 




Oil and gas field Professional - Bulk transfers from tote CS14 Daily; 15 - 1 hour; Enclosed transfers, clear PROC8b >4 hours, ambient No LEV 5 6.86 

chemicals 

SU22 tanks and supply 

product temp (ambient). lines prior to decoupling Discharging temp. 

vessels 


(dedicated) 

Professional - Charge from drums CS45 Daily; 15 mins - 1 hour; Pumped transfer from PROC8b 

daily; ambient No LEV 5 6.86 

SU22 

product temp (ambient) drum to holding tanks. Discharging temp. 


(dedicated) 

Professional - Drilling mud (re-) CS512 Daily; 1-4 hour; product Closed equipment, PROC3 Closed > 4 hours daily; No LEV 1 1.37 

SU22 formulation 

temp (ambient); indoor enclosed or vented batch process with ambient temp. 


Professional - Drilling head operations CS513 Daily; 1-4 hour per 

PROC4 Batch > 4 hours daily; With LEV 5 6.86 

SU22 


process with ambient temp. 


exposure 

Combine in narrative Professional - Operation of solids CS514 Daily; >4 hours; indoor; Local exhaust ventilation PROC4 Batch > 4 hours; daily; With LEV. 

50 0.69 

SU22 filtering equipment - 



aerosol exposures .. 

approx. 60 dC 


Elevated temperatures 

Operation of solids CS514 100 0.69 


vapour phase 

exposures 

Professional - Cleaning of solids CS47, CS514 Daily; 15 - 1 hour; Local exhaust ventilation PROC8a Nondedicated 

> 4 hours; daily No LEV 5 13.71 

SU22 filtering equipment 



vessels

Professional - Treatment and disposal CS515 Daily; 1-4 hour per Local exhaust ventilation PROC4 Batch 

SU22 of filtered solids 


process with 


exposure 

Base oil content 1-5% 

Professional - Sample collection CS2 Daily; 4 hours, product Outdoor PROC1 and 

SU22 process chemicals) by 


PROC2 Closed 




Professional - Application (of process CS9 Daily; 4 hours, product Local exhaust 

PROC4 Batch 

SU22 operations 

temp (ambient) ventilation; or Outdoor process with 

exposure 

Professional - Clean down and CS39 Daily; 15 min - 1 hour; Enclosed lines; retain PROC8a Nondedicated 




in container 


Professional - General process CS67 Continuous; daily; 8hour Enclosed t i l f process; b t PROC1 and 

SU22 exposures from 

closed/semi-closed PROC2 Closed 





Professional - Storage CS55 Daily; 8 hrs; ambient samples collected at PROC1/2 Closed 

SU22 

temp; 



li ) 

Use in road and Industrial -SU3 Closed system CS15 Continuous; daily; 15 - 1 Closed processes PROC1 Closed 

construction 

applications, 

hour; product temp 

process (no 

applications 

(ambient); outdoors 

sampling) 

Combine Industrial -SU3 Closed system CS15 Continuous; daily; 15 Enclosed process; PROC2 Closed 

applications 

mins - 1 hour, outdoors Outside location; continuous process 

closed/semi-closed (with sampling) 


Industrial -SU3 Closed system CS29 Daily; 15 - 1 hour; Closed processes PROC3 Closed 

applications 

product temp (ambient) 


sampling) 

Combine Industrial -SU3 Spraying CS25 Daily; >4 hours, product Enclosed or ventilated PROC7 Spraying 

temp (>100 dC) production line. industrial setting 

Automation. 

Industrial -SU3 Spraying CS25 Daily; >4 hours, product Enclosed or ventilated PROC7 Spraying 


Automation. 

Industrial -SU3 Material transfers CS8, CS82 Daily; >4 hours, product Pumped transfer - nondedicated 

systems Discharging 

PROC8a 




Industrial -SU3 Material transfers CS8, CS81 Daily; >4 hours, product Pumped transfer - PROC8b 

temp (ambient) dedicated systems Dedicated 


vessels 

Industrial -SU3 Rolling, brushing CS13, CS111 Daily; >4 hours, product Work areas with extract PROC10 

temp (>100 dC) ventilation 


rolling, brushing 

> 4 hours; daily With LEV. 5 0.69 


ambient temp. 

No LEV 3 1.37 


temp. 

No LEV 3 1.37 

>4 hours; ambient 

temp. 

No LEV 5 13.71 


ambient temp. 


1-4 hours, 

ambient temp. 

No LEV 5 13.71 


temp. 

No LEV 3 1.37 


temp. 



temp. 

Closed process. 0.01 0.34 


temp. 

No LEV 1 1.37 


temp. 

No LEV 1 0.34 

daily; slightly With LEV 20 2.14 


temp. 

daily; vapour 

phase. 

With LEV 100 2.14 


temp. 

No LEV 5 13.71 


temp. 

No LEV 5 6.86 

daily; elevated 

product temp. 

With LEV 50 1.37

Industrial -SU3 Rolling, brushing CS13 Daily; >4 hours, product Work areas with extract PROC10 Daily, ambient 

temp ambient 

ventilation 

Application by temperature, 

rolling, brushing indoor 

Comnbine 

Industrial -SU3 Dipping, pouring CS4 Daily; >4 hours, product Work areas with extract PROC13 daily; elevated 


Application by product temp. 

dipping, pouring 

Industrial -SU3 Dipping, pouring CS4 Daily; >4 hours, product Work areas with extract PROC13 Daily, ambient 

temp ambient 

ventilation 


dipping, pouring indoor 

Industrial - maintenance of CS5 Daily; 1-4 hours, work methods, drain prior PROC8a 1-4 hours, 


ambient 

to work, retain spills, Discharging ambient temp. 

gloves 



Industrial -SU3 Storage CS67 Daily; 8 hrs; ambient samples collected at PROC1/2 Closed daily; ambient 

temp; 



li ) 

Use in road and Professional - Material transfers, e.g. CS8 . Plus Daily; >4 hours, product Product transfer - nondedicated 

systems Discharging temp. 

PROC8a >4 hours, ambient 

construction SU22 charge from drums Nondedicated 



applications 

facility 


(CS82) 

Professional - Material transfers CS8 . Plus Daily; >4 hours, product Product transfer - PROC8b >4 hours, ambient 

SU22 

Dedicated temp (ambient) dedicated systems Dedicated temp. 

facility 


(CS81) 

vessels 

Professional - Rolling, brushing CS13 Daily; >4 hours, product Outdoor PROC10 >4 hours, ambient 

SU22 


Application by temp. 


combined Professional - Machine application of CS25 Daily; >4 hours, product Enclosed machinery, PROC11 


SU22 bitumen cutbacks Spraying/ temp (ambient); operator remote from Application by temp. 

fogging by outdoors, 50% gasoil spray head, PPE spraying 

machine 

application 

Professional - Machine application of CS25 

PROC11 


SU22 bitumen cutbacks Spraying/ 


vapours 

fogging by 

spraying 

machine 

application 

Professional - Dipping, pouring CS4 Daily; >4 hours, product Outdoor PROC13 


SU22 




Professional - maintenance of CS5 Daily; 1-4 hours, work methods, drain prior PROC8a 1-4 hours, 


ambient 


gloves 



Professional - Storage CS55 Daily; 8 hrs; ambient samples collected at PROC1/2 Closed daily; ambient 

SU22 

temp; 



sampling) 

Functional fluids Industrial - Bulk transfers to/from CS14 Daily; 15 min - 1 hour; Enclosed transfers, clear PROCS1-3 > 4 hours; daily; 

SU10 storage 

ambient temp 

lines prior to decoupling 

ambient temp. 

Industrial - Transfers from drums CS8 Daily; 15 min - 1 hour; Pumped transfer from PROC8b > 4 hours; daily; 

SU10 to filling machinery 

ambient temp 

drum to holding tanks. Discharging ambient temp. 


Industrial - filling articles from CS84, CS107 Daily; >4 hours, ambient enclosed operations, size PROC 9 Transfer > 4 hours; daily; 

SU10 predominantly enclosed 

of openings minimised of chemicals into ambient temp. 

machines 


Industrial - manual filling of CS45 Daily; 1-4 hours, careful pouring, worker PROC8a 1-4 hours, 

SU10 machines 

ambient 

instructions 

Discharging ambient temp. 



Industrial - operation of closed CS15 Daily; >4 hours, ambient None. PROC2 > 4 hours; daily; 

SU10 equipment containing 

ambient temp. 

functional fluids 

Combine in narrative Industrial - operation of open CS16 Daily; >4 hours, ambient Well ventilated area. PROC 4 Use in > 4 hours; daily; 


batch and other ambient temp. 


process 




No LEV 5 13.71 


No LEV 5 13.71 

No LEV 5 6.86 

No LEV 5 27.43 

with LEV 20 2.14 

with LEV 100 2.14 

No LEV 5 13.71 

No LEV 5 13.71 


No LEV 1 1.37 

No LEV 5 6.86 


No LEV 5 13.71 

No LEV 0.5 1.37 

No LEV 5 6.86

Industrial - operation of open CS16 Daily; >4 hours, ambient None. PROC 4 Use in > 4 hours; daily; 


(product at 80oC) 

batch and other elevated temp. 

functional fluids at 

process 

elevated temperatures 






process 


vapour phase 

Industrial - Re-work on off CS19 Daily; >4 hours, ambient work methods, drain prior PROC9 - Transfer 1-4 hours, 

SU10 specification articles 

to work, retain spills of chemicals into ambient temp. 




ambient 


gloves 




temp; 



li ) 

Use in Explosive Professional - Bulk transfers from CS14 Daily; 1 - 4 hours; Enclosed transfers, clear PROC3 Closed 1-4 hours, 

manufacture and SU22 road tankers 

ambient temp. lines prior to decoupling batch process (with ambient temp. 

use 

sampling) 

Professional - Charge from drums CS8 Daily; 15 mins - 1 hour; Pumped transfer from PROC8a 1-4 hours, 

SU22 

ambient temp 



Combine in narrative Professional - Mixing / blending CS23, CS108 Daily; 1 - 4 hours; Enclosed or ventilated PROC5 Mixing & 1-4 hours, 

SU22 

ambient temp. mixing vessel 

blending 

ambient temp. 

Professional - Mixing / blending CS23, CS108 Daily; 1 - 4 hours; Enclosed or ventilated PROC5 Mixing & 1-4 hours, 

SU22 (vapour phase) 


blendingg) ambient temp. 

Professional - Mixing / blending CS23, CS107 Daily; 1 - 4 hours; Enclosed or ventilated PROC3 Closed 1-4 hours, 

SU22 (closed system) 


batch process (with ambient temp. 

sampling) 

Professional - Bulk transfers of CS3 Daily; 15 - 1 hour; Enclosed transfers to PROC8b 4 hours; daily; 

SU10 transfers to/from 

ambient temp 

minimise spills 

ambient temp. 

storage e.g. IBCs, big 

bags 

Industrial - In-line weighing of CS91 Daily; 15 min - 1 hour; Enclosed activity PROCs 1, 2 > 4 hours; daily; 

SU10 additives 

ambient temp 

ambient temp. 

Industrial - small scale weighing of CS90 Daily; 15 min - 1 hour; LEV; minimise spillages; PROC9 1-4 hours, 


ambient temp 

operator training 

ambient temp. 

Combine in narrative Industrial - small scale mixing of CS92 Daily; 15 min - 1 hour; LEV; minimise spillages; PROCs 3, 4 > 4 hours; daily; 


ambient temp 

ambient temp. 

Industrial - batch pre-mixing of CS92 Daily; 1-4 hours; LEV; minimise spillages; PROC5 1-4 hours, 


ambient temp 

ambient temp. 

Industrial - transfer of additives to CS3 Daily; 15 min - 1 hour; Enclosed activity PROC 8b, 9 1-4 hours, 

SU10 calendars and 

ambient temp 

ambient temp. 

Banburys 

Combine in narrative Industrial - Calendaring activities CS64 Daily; >4 hours, LEV; minimise area/size PROC6 - > 4 hours; daily; 

SU10 (incl banbury) 

elevated temperature of openings 

Calendering ambient temp. 

operations 

Industrial - Calendaring activities CS64 Daily; >4 hours, LEV; minimise area/size PROC6 - > 4 hours; daily; 




operations 

Industrial - Pressing raw rubber CS73 Daily; 1-4 hours; Good GV PROC 14 - > 4 hours; daily; 

SU10 blanks 

ambient temp 

Production of ambient temp. 


articles by 

tabletting, 

compression, 

extrusion, 

pelletisation 



No LEV 5 6.86 

No LEV 5 13.71 


No LEV 1 0.34 

No LEV 5 13.71 

No LEV 5 6.86 

No LEV 10 4.12 

No LEV 1 0.34 


No LEV 5 6.86 

No LEV 5 13.71 

No LEV 5 13.71 


No LEV 0.5 1.37 

No LEV 5 6.86 

No LEV 0.5 6.86 

No LEV 5 6.86 

No LEV 5 6.86 

No LEV 5 6.86 




No LEV 1 3.43

Industrial - Rubber refreshing CS112 Daily; 1-4 hours; Good GV PROC7 > 4 hours; daily; 

SU10 during article build-up 

ambient temp 

ambient temp. 

Combine in narrative Industrial - Vulcanising (automated CS70 Daily; >4 hours, LEV at emission points; PROC6 - > 4 hours; daily; 

SU10 and semi-automated) 

elevated temperature minimise area/size of Calendering ambient temp. 


openings; good GV operations 

Industrial - Vulcanising (automated CS70 Daily; >4 hours, LEV at emission points; PROC6 - > 4 hours; daily; 



elevated temperature, 


vapours 

Industrial - Vulcanising (manual) CS70 Daily; >4 hours, LEV at emission points; PROC6 - > 4 hours; daily; 

SU10 elevated temperature 




SU10 elevated temperature, 


vapours 


Industrial - Cooling of cured CS71 > 4 hours; daily; ambient Extract ventilation/hood PROC6 - > 4 hours; daily; 

SU10 articles (elevated 

temp. 


temperatures) 

operations 

Industrial - production of articles by CS113 > 4 hours; daily; ambient Extract ventilation/hood PROC13 > 4 hours; daily; 

SU10 dipping & pouring 

temp. 

ambient temp. 

Industrial - build up and finishing of CS102 > 4 hours; daily; ambient good ventilation PROC21 > 4 hours; daily; 

SU10 articles (dermal 

temp. 

ambient temp. 

exposures) 

Industrial - Laboratory activities CS36 Daily; 8 hours, ambient 

ambient temp; collection wash down in sealed 

of line waste in container storage pending disposal discharging to/from 




Industrial -SU8 Storage CS67 > 4 hours; daily; ambient good ventilation PROC 1/2 > 4 hours; daily; 

temp. 

ambient temp. 

Water treatment Industrial -SU3 Bulk transfers (e.g. CS14 Continuous; daily; 8hour Enclosed transfers, clear PROC 2 Dedicated daily; ambient 

applications 

from IBCs) 

lines prior to decoupling discharging to/from temp. 

vessels 

Industrial -SU3 Metered charge from CS8 Daily; 15 mins - 1 hour; Pumped transfer from PROC8b 


drums 

ambient temp 

drum 

Discharging temp. 


Industrial -SU3 General process CS15 Batch process; daily; Closed equipment, PROC 3 >4 hours, ambient 

exposures from closed 

ambient temp. enclosed or vented 

temp. 

processes 

transfer points 

Industrial -SU3 General process CS16 Batch process; daily; Closed equipment, PROC4 Closed >4 hours, ambient 

exposures from open 

ambient temp. enclosed or vented batch process (with temp. 

processes 


sampling) 

Industrial -SU3 Manual pouring of CS9 Daily;


Appendix 2.b. Qualitative Exposure Estimation 

Qualitative Exposure Estimation for R20 substances 

There is a difference of at least a factor of 30 between the short-term (when expressed over 15 

minutes) and the long term DNELs (when expressed over 8 hours)), i.e. the long-term DNEL is lower 

by at least 30x. In these circumstances a quantitative assessment of short-term exposure assessment 

has not be undertaken based on the following rationale: 

- For any single short term (ST) event to adversely influence the implementation of the long term 

(LT) reference value (DNEL when available) in the CSA, then the single ST exposure must be 

~30x greater than the LT DNEL. Where the ST exposure might be repeated during the course of 

an activity, then the contribution made by the ST exposures to the LT average would clearly be 

greater. Hence, provided daily average exposures are controlled to within the LT reference value, 

then this will also account for any potential risks arising from ST exposure. 


This general qualitative CSA approach aims to reduce/avoid contact or incidents with the substance. 

However, implementation of risk management measures (RMMs) and operational conditions (OCs) 

need to be proportional to the degree of concern for the health hazard presented by the substance. 

Exposures should be controlled to at least the levels that represent an acceptable level of risk, i.e. 

implementation of the chosen RMMs will ensure that the likelihood of an event occurring due to the 

hazard of the substance is negligible, and the risk is considered to be controlled to a level of no 

concern. 

For skin irritation a qualitative risk characterisation was conducted. Handling and storage risk 

management measures that are generally identified for skin irritation and identified in the Table given 

in Appendix 3.b. 

A review of these RMMs indicates that if the user complies with the following generic statements, risks 

due to skin irritation can be considered to be adequately controlled: 

E3: Avoid direct skin contact with product. Identify potential areas for indirect skin contact. 

Wear gloves (tested to EN374) if direct hand contact with substance likely. Clean up 

contamination/spills as soon as they occur. Wash off skin contamination immediately. Provide 

basic employee training to prevent / minimise exposures and to report any skin effects that 

may develop. 

Plus (where there is the potential for additional and significant aerosol exposure, e.g. associated with 

PROCs 7, 11, 17 or 18): 

E4: Other skin protection measures such as impervious suits and face shields may be 

required during high dispersion activities which are likely to lead to substantial aerosol 

release, e.g. spraying. 


‘Aspiration’ means the entry of a liquid substance directly into the trachea and lower respiratory tract. 

Aspiration of hydrocarbon substances can result in severe acute effects such as chemical 

pneumonitis, varying degrees of pulmonary injury or death. This property relates to the potential for 

low viscosity material to spread quickly into the deep lung and cause severe pulmonary tissue 

damage. Classification of a hydrocarbon substance for aspiration hazard is made on the basis of 

reliable human evidence or on the basis of physical properties. 

The R65 risk phrase (Harmful: may cause lung damage if swallowed) relates to potential for 

aspiration, a non-quantifiable hazard determined by physico-chemical properties (i.e. viscosity) that 

can occur during ingestion and also if it is vomited following ingestion. A DNEL cannot be derived. 

This general qualitative CSA approach aims to reduce/avoid contact or incidents with the substance. 

However, implementation of risk management measures (RMMs) and operational conditions (OCs) 

need to be proportional to the degree of concern for the health hazard presented by the substance. 

Exposures should be controlled to at least the levels that represent an acceptable level of risk such 

that the implementation of the chosen RMMs will ensure that the likelihood of an event occurring due 

to the substance hazard is negligible, and the risk is considered to be controlled to a level of no 

concern. 

There are no routine anticipated exposures by ingestion related to any supported uses of the 



substance. The risk arising from aspiration hazard is solely related to the physico-chemical properties 

of the substance. The risk can therefore be controlled by implementing risk management measures 

tailored to this specific risk. For any substance, classified as R65, these measures should be 

communicated via the safety data sheet by use of the following phrase: 

 

Do not ingest. If swallowed then seek immediate medical assistance. 

Furthermore it should be noted that where the substance is sold for use in lamp oils and grill lighters 

by the general public (Consumers), then these must be visibly, legibly and indelibly marked as 

follows, in accordance with REACH Annex XVII update of 1.4.2010: 

- Keep lamps filled with this liquid out of the reach of children. 

- Just a sip of lamp oil – or even sucking the wick of lamps may lead to life threatening lung 

damage. 



Appendix 2.c. 

Consumer Exposure Estimation 


This tool is provided for informational purposes only and may be used at the user's 

own risk. Consequently you should not act, or refrain from acting, based solely on 

the information provided within this tool. This is intended to be a screening tool and 

is not a substitute for and should not be relied upon in place of appropriate technical 

advice, more refined knowledge of consumer exposure information, or common 

sense. 

Gasoils [vacuum] (VP>10Pa) 

DNEL bands 

Saturated 

Substance 

Molecular 

Physical 

Substance 

Gasoils 

Substance 

TRA volatility 

Vapour 

Band1 (very 

Name 

Weight 

5000.0 property liquid 

300000.0 

high 

605474396.8 

Properties: 

(vacuum) 

volatility (Pa): 

range 

Concentration 

low) 

(g/mole) 

(mg/m3) 

Common Thickness 

Density 

Life Cycle 

Parameter Layer (cm) 0.01 (g/cm3) 1.0 Body Weight 60.0 Inhalation Rate 1.4 fraction released to 

Stage / Sector 

Consumer 

Band2 (low) 

Defaults: 

(m3/hr) 

of Use 

(SU21) 

References 

dermal longterm 

systemic 

(mg/cm2) 

dermal local 

oral long-term 

inhalation 

inhalation long-term 

inhalation local 

Values 

10.0 

systemic 

systemic 

systemic (mg/m3) 

61.20 

(mg/m3) 

Band3 (Medium) 

(DNELs): 

(mg/kg/day) 

(mg/kg/day) 

(mg/kg/24 hr day) 

for 24 hr day 

inhalation dermal/ oral 

(mg/m3) (mg/kg/day) 

[0.5, 5) 

[0.1, 1) 

[5, 25) 

[1, 5) 

[25, 100) 

[5, 20) 

Band4 (High) 

>=100 

>=20 

Table 1: Mapping Consumer Uses in the Supply Chain Table 2b: Characterising the Risk - after refinement of exposure estimate 

all all 

dermal dermal dermal dermal oral inhalation inhalation inhalation inhalation inhalation inhalation inhalation 

Relevant Use Sentinel Product sub Category 

Generic Exposure Scenario TIER1 Predicted Exposure - ECETOC TRA based on defaults 

Risk Characterization based on defaults 

TIER1+ ECETOC TRA - exposure modifiers 

Product 

Sentinels 

dermal oral 

inhalation 

TRA Tier 1+ Predicted Exposure - ECETOC TRA - refined estimates 

Local Use 

On Day of Use 

TRA Tier1+ Risk Characterization - refined estimates 

Chronic Considering Yearly Use 

Frequency 

Operation Conditions (OCs) Risk Management Measures (RMMs) 

Risk Characterization - including RMMs 

when needed (substance Specific) 

TRA+ Predicted Exposure - including RMM 

when needed (substance specific) 

Chronic 

Predicted Predicted Oral Predicted Predicted Predicted Total Predicted 

Predicted Predicted Predicted Predicted Predicted Predicted Mean Inhalation Mean Inhalation Mean Inhalation Total RCR dermal RCR RCR systemic RCR systemic RCR systemic RCR systemic RCR systemic 

RMMs for communication - Consolidate into Indicator RCR RCR RCR Predicted Predicted Oral Predicted 

PCS Subcategories PEC PEC PEC DNEL Total RCR DNEL Total RCR DNEL Total RCR DNEL Total RCR 

Dermal Exposure Inhalation Inhalation Inhalation Exposure 

Dermal Dermal Dermal Oral Oral Inhalation Event Concentration Concentration Predicted local (based systemic (24hr TWA (all routes, (dermal, (inhalation, (all routes, 

GES or e-SDS 

for Basis of systemic systemic systemic (all Dermal Exposure Inhalation 

(dermal) (oral) (inhalation) BAND1 

BAND2 

BAND3 

BAND4 

Exposure (mg/kg/d) Exposure Exposure Exposure - upper (mg/kg/d) 

Dilution Factor 

Exposure, Exposure, Exposure, Exposure, Exposure, Exposure, Concentration (24hr TWA) on Yearly (mg/m3) Exposure on mg/cm2) (dermal, inhalation daily) chronic, based yearly, based chronic) 

REACH ADVISED: phrase [RMM code] Exposure (dermal, (inhalation routes) Exposure (mg/kg/d) Exposure 

(mg/kg/d) 

(mg/kg/d) (mg/m 3 ) bounded with SVC 

RCR (all 

Inhalation Factor (fraction Location 

incorporating 

RCR RCR (SVC-upper 

Frequency (events per 

Daily (mg/kg/d) Chronic Local daily Chronic daily (mg/m 3 ) Day of Exposure 

(mg/kg/d) - 

daily, based mg/m3) 

on mg/kg/d)) on mg/m3) 

Recommended: {phrase [RMM code].} Estimate based on based on 

(mg/kg/d) 

(mg/m3) 

Area of 

Short Title 

(mg/m 3 RCR 

routes - sum of Product ingredient (weight fraction) 

Skin surface contact area 

Glove 

of total use (indoors, 

Air Exchange 

) 

RCR (oral) (inhalation bounded 

day): if < 1, only used for 

Use Dilution Factor Dermal Factor 

Amount Used per event (g) 

Room Volume (m3) Exposure time (hours) 

(mg/kg/d) (mg/cm2) (mg/kg/d) (mg/kg/d) (mg/kg/d) 

(mg/m3) 

day of use for 

on mg/kg/d)) 

mg/kg/d)) mg/m3) 

Application / UD 

(dermal) 

mg/kg/day 

(g/g) 

(cm 2 Amount Swallowed (g) 

Air Exchange Rate (1/hr) 

) 

effiency 

spilled/evaporated, i.e., outdoors, 

Rate applied to 

mg/kg/day) inhalation mg/m3) 

chronic assessment 

TRA 

values) 

amount lost) garage) 

TRA for mg/kg 

comparison 

inhalation calc. 

only 

Value Comments Value Comments Value Comments Value Comments Value Comments Value Comments Value Comments Value Comments Value Comments Value Comment Value Comments dayofuse chronic event dayofuse chronic dayofuse event dayofuse chronic 1.3 61.2 1.3 61.2 d i t d o i c c c 

Consumerl-SU21 PC13:Fuels 

71.5 0 11416.7 125000.0 125000.0 11488 54.97 #DIV/0! #DIV/0! 2042.48 #DIV/0! 1 increased above 0.14 est. as 1 per 210.00 est. as palm of 

TRA default 

week 

one hand 

Liquid - Automotive 

Refuelling 


71.5 0 11416.7 125000.0 125000.0 11488 54.97 #DIV/0! #DIV/0! 2042.48 #DIV/0! 1 increased above 0.33 daily use 210.00 est. as palm of 

TRA default 

assumed 

one hand 

over Winter 

period (4 

months) 

Liquid - Home 

heating oil 


71.5 0 11416.7 125000.0 125000.0 11488 54.97 #DIV/0! #DIV/0! 2042.48 #DIV/0! 1 increased above 0.07 est. as 1 per 

TRA default 

two weeks 

Liquid - Garden 

Equipment - Use 


71.5 0 11416.7 125000.0 125000.0 11488 54.97 #DIV/0! #DIV/0! 2042.48 #DIV/0! 1 increased above 0.07 est. as 1 per 420.00 Est. half of each 

TRA default 

two weeks 

hand 


Equipment - Refueling 

0.1000 Assumed value 

37500 est. fuel tank size 50 0.0100 expect low % outdoor 0.60 est. 0.99 100 Stoffenma 0.050 3mins, 97th 3.50 0.50 1.00 0.00 0.00 4.22 3694.31 7.70 1.101 7.72 0.10 2.69 0.13 2.82 0.39 0.02 0.40 Unless otherwise stated, covers concentrations up to 100% [ConsOC1]; No specific RMMs developed beyong those Based upon 0.39 0.02 0.40 0.50 0.00 1.10 PC13:Fuels 

0.50 0.00 1.10 0.00 0.00 0.00 0.00 

of no >10% 

L converted using 

loss during 

conservative 

nager 

percentile- 

covers use up to 52 days/year[ConsOC3]; covers use up to 1 time/on OCs stated 

infrequent 

transfered from 

gasoline density of 

refueling due to 

value for 

volume 

Vainiotalo et 

day of use[ConsOC4]; covers skin contact area up to 210.00 cm2 

use (10% 


loss during typical 

general fact 

default 

as shorter 


infrequent 




sheet 

than vehicle 


use (10% 

based upon density 

loss during 

conservative 

nager 

per day 


daily use 


for mogas = 750 

equipment use 

value for 

volume 

day of use[ConsOC4]; for each use event, covers use amounts up to 

contaminated 

kg/m3. 

outdoor 

used for 

750g [ConsOC2]; covers outdoor use [ConsOC12]; covers use in room 

pump handle to 

outdoors 

size of 100m3[ConsOC11]; for each use event, covers exposure up to 





750 1 L: Conv from L to g 0.0300 expect low % garage 1.50 RIVM 0.98 34 RIVM 0.030 Est. 2mins 7.00 0.49 1.00 0.00 0.00 0.44 647.10 0.81 0.057 7.44 0.10 5.38 0.01 5.40 0.38 0.00 0.38 Unless otherwise stated, covers concentrations up to 100% [ConsOC1]; No specific RMMs developed beyong those Based upon 0.38 0.00 0.38 0.49 0.00 0.06 PC13:Fuels 

0.49 0.00 0.06 0.00 0.00 0.00 0.00 

of no >10% 

based upon density loss but may be 

general fact 

general 


infrequent 



more from pouring 

sheet 

fact sheet 


use (


APPENDIX 3: Qualitative Risk Characterisation 



Appendix 3.a. 

Worker Risk Characterisation 


Gas Oils (Vacuum) 

4 DNEL (inhalation, 

aerosol, mg/m3) = 

68.3 DNELs (dermal) 

= mg/kg/d 

Table 1: Mapping Uses in the Supply Chain 7 

2.9 Reference 

Value 

(vapour 

phase 

portion of 

mixed 

aerosol 

7 Basis for ES 

User Group Contributing Scenarios 

CS Ref 


Typical Mapped Typical Mapped RMMs Process 

Operating Conditions 

Categoryequivalen 

Tier 1 assumptions and adjustments 

Predicted Exposure - ECETOC TRA estimate 

RMMs for communication - 

where required 

Consolidate into GES or e-SDS (Black 

OCs (red text Tier RMMs (red text Moderate LEV Predicted Relvant Predicted Dermal Dermal Protection Predicted Actual 

text REACH advised; Blue text 

1 adjustments) additional Tier 1 dustiness Efficiency % Exposure Exposure (mg/kg/d) Reduction Efficiency Dermal Exposure 

recommended) 

adjustments) (mg/3) no (XX if not (mg/m3) modifiers 

(mg/kg/d) Substance Specific Substance Specific Substance Specific 

LEV TRA) 

RCR (inhalation) RCR (dermal) RCR (all routes) 

Manufacture of Industrial - General process CS15 Continuous; daily; 15 - 1 Closed processes PROC1 Closed >4 hours, ambient Closed process. 0.01 0 0.01 0.34 10 0.306 0.00 0.11 0.11 No special precautions identified' EI18 

substance SU8/9/3 exposures (no 



No exposure. 

Wear gloves PPE15 

sampling) 

Outdoor 

sampling) 

Combine in narrative Industrial - General process CS15 Continuous; daily; 15 Enclosed process; PROC2 Closed >4 hours, ambient No LEV 1 0 1 1.37 0 1.37 0.01 0.47 0.49 Handle substance within a closed 

with row above SU8/9/3 exposures and sample 

mins - 1 hour; product Outdoor location; continuous process temp. 

system E49 Ensure samples are 

collection 

temp. Outdoor closed/semi-closed (with sampling) 

collected under containment or extract 


ventilation. E76 Wear gloves PPE15 

Industrial - General process CS15 Batch process; daily; 15 - Closed equipment, PROC3 Closed >4 hours, ambient No LEV 3 0 3 0.34 0 0.34 0.04 0.12 0.16 Handle substance within a closed 

SU8/9/3 exposures 

1 hour; product temp.; enclosed or vented batch process (with temp. 

system E47 Ensure samples are 

Indoor/Outdoor sampling points sampling) 

collected under containment or extract 

ventilation.E76 

Industrial - General exposures CS16 Daily; 15 - 1 hour; Enclosed transfers, clear PROC4 batch >4 hours, ambient No LEV 5 0 5 6.86 80 1.37 0.07 0.47 0.55 Wear gloves PPE15 Provide extract 

SU8/9/3 open batch process 

product temp.; lines prior to decoupling process with temp. 

ventn to transfer points E54. Clear 


exposure 

lines prior to decoupling. E39 Provide 

good GV E40 

Industrial - Sample collection CS2 Daily; 4 hours, ambient No LEV 3 0 2.1 0.34 0 0.34 0.03 0.12 0.15 Ensure samples are collected under 

SU8/9/3 

temp.; Indoor/Outdoor sampling points batch process (with temp. 

containment or extract ventilation.E76 

sampling) 

Wear gloves PPE16 Avoid splashing 

C&H15 Undertake outdoors E69 

Industrial - Laboratory activities CS36 Daily; 15 mins - 1 hour; Fume cupboard. PPE. PROC15 Use in >4 hours, ambient No LEV 5 0 5 0.34 0 0.34 0.07 0.12 0.19 Use in fume cupboard E83 Wear 

SU8/9/3 



suitable gloves tested to EN374 

PPE15 

Industrial - Bulk transfers (closed CS501 Daily; 15 - 1 hour; Enclosed transfers, clear PROC8b >4 hours, ambient No LEV 5 0 5 6.86 80 1.37 0.07 0.47 0.55 Handle substance within a closed 

SU8/9/3 systems) e.g bottom 

product temp.; lines prior to decoupling Dedicated temp. 

system E47 Wear chemically resistant 

loading 



gloves (tested to EN374) PPE15 

vessels 

Ensure material transfers are under 

containment or extract ventilation. E56 

Avoid splashing C&H15 Operate 

activity from way from sources of 

substance emission or release E77 

Industrial - Bulk transfers (open CS503 Daily; 1-4 hrs hour; Enclosed transfers, PROC8b 

daily; ambient No LEV 5 0 5 6.86 80 1.372 0.07 0.47 0.55 Wear gloves PPE15 Provide extract 

SU8/9/3 systems) 

product temp.; vented transfer points; Dedicated temp. 

ventn to transfer points E66. Clear 

Indoor/Outdoor clear lines prior to discharging to/from 

lines prior to decoupling. E39 Operate 

decoupling 

vessels 

activity from way from sources of 

substance emission or release E77 

Industrial - Clean down and CS39 Daily; 15 mins -1 hour; Enclosed lines; retain PROC8a Nondedicated 

temp. 

effectiveness 

break-in or maintenance. E65. Retain 

>4 hours; ambient No LEV 10 80 2 LEV 

13.71 90 1.371 0.03 0.47 0.50 Drain down system prior to equipment 

SU8/9/3 Maintenance 

product temp; collection wash down in sealed 

of line waste in storage pending disposal discharging to/from 

assumed to 

drain down in sealed storage pending 

container; 


equate to SOP 

disposal or for subsequent recycle 

Indoor/Outdoor material for subsequent 

relating to 

ENVT4. Deal with spills immediately. 


draining etc 

C&H13. Wear chemically resistant 

prior to 

gloves (tested to EN374) . PPE16 

maintence 

Wear suitable coveralls to prevent 

exposure to the skin PPE27 

Industrial - Bulk Storage CS85 Daily; 8 hrs; product samples collected at PROC1/2 Closed daily; ambient outdoor activity 1 0 1 1.37 0 1.37 0.01 0.47 0.49 Store substance within a closed 

SU3/ SU10 

temp; 


system. E84 Avoid dip samples E42 


sampling) 

Distribution of Industrial - General process CS15 Continuous; Outdoor; Closed process. No PROC1 Closed >4 hours, ambient Closed product. 0.01 0 0.01 0.34 0 0.34 0.00 0.12 0.12 No special measures EI18 Handle 

substance SU3 


daily; 15 - 1 hour; exposure. 


No exposure. 

substance within a closed system. E47 

process (e.g. In-line 

product temp. 

sampling) 



cleaning) 

Combine in narrative Industrial - General process CS15 Continuous; Outdoor; Enclosed process; PROC2 Closed >4 hours, ambient No LEV 1 0 1 1.37 0 1.37 0.01 0.47 0.49 Handle substance within a closed 

SU3 

exposures (occasional 

daily; 15 mins - 1 hour; closed/semi-closed continuous process temp. 

system. E47 Ensure material transfers 

controlled exposure) 

product temp. 



are under containment or extract 

ventilation E66 

Industrial - General process CS15 Batch process; Outdoor; Closed equipment, PROC3 Closed >4 hours, ambient No LEV 3 0 3 0.34 0 0.34 0.04 0.12 0.16 Handle substance within a closed 

SU3 


daily; 15 - 1 hour; enclosed or vented batch process (with temp. 


batch process 

product temp. 

sampling points sampling) 



Industrial -SU3 General exposures CS16 Daily; Indoor/Outdoor; Enclosed transfers, clear PROC4 batch >4 hours, ambient No LEV 5 0 5 6.86 80 1.372 0.07 0.47 0.55 Ensure material transfers are under 


15 - 1 hour; product lines prior to decoupling process with temp. 

containment or extract ventilation 

temp. 

exposure 

[E66] Clear transfer lines prior to decoupling 

E39 Wear gloves tested to 

EN374 PPE15 

Industrial - Sample collection CS2 Daily; 4 hours, ambient No LEV 3 0 3 0.34 0 0.34 0.04 0.12 0.16 No special precuations EI18 Ensure 

SU3 

temp.; Outdoor; sampling points batch process (with temp. 

samples are obtained under 

sampling) 

containment or extract ventilation E76 

Wear suitable gloves tested to EN374 

PPE15 Avoid dip sampling E42 

Industrial - Laboratory activities CS36 Daily; 15 mins - 1 hour; Fume cupboard. PPE. PROC15 Use in >4 hours, ambient No LEV 5 0 5 0.34 0 0.34 0.07 0.12 0.19 No special precuations EI18 Handle in 

SU3 



a fume cupboard or under extract 

ventilation E83 Wear suitable gloves 

tested to EN374. PPE15. 

t

Industrial - 

SU8/9/3 


as Bulk Transfer SU3 

CS14 unless 

differentiation 

required in practice 

Industrial - 

SU3 

Industrial - 

SU3 

Industrial - 

SU3 

Industrial - 

SU3 

Formulation & Industrial - 

(re)packing of SU3/SU10 

substances and 

mixtures 

Combine in with Industrial - 

above row in SU3/ SU10 

narrative 

Industrial - 

SU3/ SU10 

Industrial - 

SU3/ SU10 

Industrial - 

SU3/ SU10 

Industrial - 

SU3/ SU3 

Industrial - 

SU3/ SU10 


SU3/ SU10 

Industrial - 

SU3/ SU10 


SU3/ SU10 

Industrial - 

SU3/ SU10 

Bulk transfers (closed CS501 Daily; 15 - 1 hour; 

systems) e.g bottom 

product temp.; 

loading 


Bulk closed loading and CS503 Outdoor; Daily; 15 - 1 

unloading NEW CS 

hour; product temp.; 

(e.g. road/rail car 

exposure potential 

bottom 

during breaking of hose 

loading/unloading; 

connection 

marine vessel/barge 

loading/unloading;) 

Bulk open loading NEW CS503 Outdoor; Daily; 1 - 4 

CS (e.g. road/rail car 

hours; product temp; 

top loading, may 

exposure potential from 

involve LEV) 

vapour emissions from 

tank opening 

Drum and small CS6 Indoor; Continuous; 

package filling 

daily; 8 hour; product 

temp. 

Clean down and CS39 Daily; 15 min - 1 hour; 

Maintenance 



Storage CS67 Daily; 8 hrs; product 

temp; Outdoors 

General process CS15 Continuous; daily; 15 - 1 

exposures (no 


sampling) (e.g. In-line 



cleaning) 

General process CS15 Continuous; daily; 15 

exposures and sample 

mins - 1 hour 

collection 

General process 

exposures (e.g. In-line 



cleaning) 

CS15 Batch process; daily; 15 - 

1 hour; product temp. 

General exposures CS16 Daily; Indoor; 15 - 1 



Sample collection CS2 Daily; 4 hours, ambient 

temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 

No LEV 5 0 5 6.86 80 1.37 0.07 0.47 0.55 Handle substance within a closed 

system. E47 Operate activity from 

way from sources of substance 

emission or release E77 Ensure 

material transfers are under 

containment or extract ventilation. 

E56. Wear chemically resistant gloves 

(tested to EN374) PPE15 Avoid 

splashing C&H15 

No LEV 5 0 5 6.86 80 1.37 0.07 0.47 0.55 Ensure material transfers are under 


Clear transfer lines prior to decoupling 

E38 Ensure operation is undertaken 

outdoors E69 Wear suitable gloves 




Clear transfer lines prior to decoupling 

E38 Ensure operation is undertaken 

outdoors E69 Wear suitable gloves 


No LEV 5 0 5 6.86 80 1.37 0.07 0.47 0.55 Fill containers/cans at dedicated fill 

points supplied with local extract 

ventilation E51 Clear spills 

immediately C&H13 Wear suitable 

gloves tested to EN374 PPE15 Put lids 

on containers immediately after use E9 

No LEV 10 80 2 LEV 

13.71 90 1.37 0.03 0.47 0.50 Apply vessel entry procedures 

effectiveness 

including use of forced supplied air. 

assumed to 

AP15 Drain down system prior to 

equate to SOP 

equipment break-in or maintenance 

relating to 

E65 Transfer via enclosed lines E52 

draining etc 


prior to 

PPE16 Wear suitable coveralls to 

maintence 

prevent exposure to the skin PPE27 

Retain drain downs in sealed storage 

pending disposal or for subsequent 

recycle. ENVT4 

outdoor activity 1 0 1 1.37 0 1.37 0.01 0.47 0.49 Store substance within a closed 

system. E84 Transfer via enclosed 

lines. E52 Avoid dip sampling E42 

Closed process. 0.01 0 0.01 0.03 0 0.03 0.00 0.01 0.01 No special measures EI18 Handle 

substance within a closed system. E47 










containment or extract ventilation 

[E66] Clear transfer lines prior to decoupling 

E39 Wear gloves tested to 

EN374 PPE15 

No LEV 3 0 3 0.34 0 0.34 0.04 0.12 0.16 No special precuations EI18 Ensure 





No LEV 5 0 5 0.34 0 0.34 0.07 0.12 0.19 No special precuations EI18 Handle in 













No LEV 5 0 5 13.71 90 1.37 0.07 0.47 0.55 Provide extract ventilation to points 

where emissions occur E54 Wear 

chemically resistant gloves (tested to 

EN374) in combination with ‘basic’ 

employee training. PPE16 

With LEV 25 90 2.5 0.07 0 0.07 0.36 0.02 0.38 Provide extract ventilation to points 



PPE15 

No LEV 10 80 2 13.71 90 1.37 0.03 0.47 0.50 Use drum pumps or carefully pour from 

Use drum 

pumps 

container E64 Wear chemically 

resistant gloves (tested to EN374) in 

combination with ‘basic’ employee 

training. PPE16 


where emissions occur E54 Use drum 

pumps or carefully pour from 

container. E64 Avoid spillage when 

withdrawing pump. C&H16 Wear 


PPE15

Industrial - Tabletting, 

CS100 Indoor; daily; 8 hours; LEV, PPE PROC14 

SU3/ SU10 compression, extrusion 

product temp. 

Production of 

or pelletisation 

preparation by 

tabletting, 

compression, 

Industrial - Drum and small CS6 Indoor, Continuous; Enclosed transfers, PROC9 Transfer 

SU3/ SU10 package filling 

daily; 8 hour; product vented transfer points of 

temp. 

substance/mixture 

into small 

containers 





in container 





SU3/ SU10 

temp; 



sampling) 

Uses in Coatings Industrial -SU3 General exposures CS15 ] Continuous; daily; 8hour Enclosed process; 1/2 -Use in closed, 

(closed systems) CS15 [CS56] 

closed/semi-closed continuous 

] with sample collection 



controlled 

[CS56]. 


sampling) 

Industrial - Bulk transfers CS14 Daily; 15 min - 1 hour; Enclosed transfers, PROC8b 

SU3/ SU10 

product temp; collection vented transfer points; Dedicated 

of line waste in container clear lines prior to discharging to/from 

decoupling 

vessels 

Industrial -SU3 Film formation - force [CS 94] enclosed in situ in 2 -Use in closed, 

drying (50 - 100°C). 

workplace 

continuous 

Stoving (>100°C). 


controlled 

UV/EB radiation curing. 

[CS 94] 


sampling) 

Industrial -SU3 Film formation - air [CS95] 4 - Use in batch 

drying. [CS95] 





Industrial -SU3 Preparation of material [CS 96] 

liquid/ powder products) - 5 - Mixing or 

for application. [CS 96] [CS30] 

batch, indoor/ outdoor. blending in batch 


processes for 

systems) [CS30] 

formulation of 

preparations and 

combine Industrial -SU3 Spraying 




[CS97] 


Industrial -SU3 Spraying 






combine Industrial -SU3 Manual spraying. [CS24] Open , Air supplied 7 -Industrial 

[CS24] 


Industrial -SU3 Manual spraying. [CS24] Open , Air supplied 7 -Industrial 



Industrial -SU3 Material transfers. CS3 Daily; 15 min - 1 hour; Enclosed transfers, 8b -Transfer of 

[CS3]. 

product temp (ambient); vented transfer points; chemicals from/to 

collection of line waste clear lines prior to vessels/ large 

in container. outdoor/ decoupling 

containers at 

indoor. 

dedicated facilities. 

Industrial -SU3 Roller, spreader, flow [CS69] Daily; >4 hours, product Local exhaust ventilation 10 - Roller 

application. [CS69] 

temp. (ambient); Range at rollers; remove spills application or 

from 2-3% upto 40-50% as they occur, PPE. brushing 

Large scale (open 

equipment) 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


ambient temp. 


ambient temp. 


temp. 


ambient temp. 




PPE15 

No LEV 5 0 5 6.86 80 1.372 0.07 0.47 0.55 Fill containers/cans at dedicated fill 

points supplied with local extract 

ventilation E51 Clear spills 

immediately C&H13 Wear suitable 

gloves tested to EN374 PPE15 Put lids 

on containers immediately after use E9 

No LEV 10 80 2 LEV 

13.71 90 1.371 0.03 0.47 0.50 Apply vessel entry procedures 

effectiveness 


assumed to 


equate to SOP 

equipment break-in or maintenance 

relating to 


draining etc 


prior to 

PPE16 Wear suitable coveralls to 

maintence 

prevent exposure to the skin PPE27 

Retain drain downs in sealed storage 

pending disposal or for subsequent 

recycle. ENVT4 




No LEV 1 0 1.0 0.03 0 0.03 0.01 0.01 0.02 Handle substance within a closed 

system E47 Ensure material transfers 













No LEV 10 30 7.0 1.37 0 1.37 Handle substance within a closed 

Good GV 0.10 0.47 0.57 system E47 Provide a good standard 

of general ventilation (3 to 5 air 

changes per hour) E11 Provide extract 

ventilation to point where emissions 

occur E54 Wear suitable gloves tested 

to EN374 PPE15 

No LEV 5 0 5.0 6.86 80 1.37 0.07 0.47 0.55 Provide a good standard of general 

ventilation (3 to 5 air changes per 

hour) E11. Avoid manual contact with 

wet work pieces EI17. Wear suitable 

gloves tested to EN374 PPE15. 

No LEV 5 0 5.0 13.71 90 1.371 0.07 0.47 0.55 Provide extract ventilation to points 

where emissions occur E54. Wear 




With LEV. 20 95 1.0 E60 = 95% 2.14 0 2.14 0.01 0.74 0.75 Minimise exposure by partial enclosure 

of the operation or equipment and 

provide extract ventilation at openings 

E60 Wear suitable gloves tested to 

EN374 PPE15. Provide GV E11 

With LEV. 100 95 5.0 E60 = 95% 2.14 80 0.43 0.71 0.15 0.86 Minimise exposure by partial enclosure 



[E60]. {Wear suitable gloves tested to 

EN374 [PPE15]}. Provide GV E11 

No LEV 20 90 2.0 RPE (APF=10)) 21.85 95 1.09 0.03 0.38 0.41 Provide enhanced GV E48 Wear a 

respirator conforming to EN140 with 

Type A filter or better. PPE22 Wear 


type EN374) in combination with 

specific activity training PPE17 Ensure 

operatives are trained to minimise 

exposures EI19 Segregate the activity 

away from other operations E63 

No LEV 100 90 4.2 RPE (APF=10)) 21.85 95 1.09 0.60 0.38 0.98 Provide good GV E11 Wear a 



(reduces 

Type A filter or better. PPE22 Wear 

exposure by 


15%) : good GV 

type EN374) in combination with 

(0.7x) 

specific activity training PPE17 Ensure 


exposures EI19 Segregate the activity 


No LEV 5 0 5.0 6.86 80 1.37 0.07 0.47 0.55 Provide general ventilation E11 Wear 


PPE15 Ensure material transfers are 

under containment or extract 

ventilation E66 Clear lines prior to 

decoupling E39 Use drum pumps or 

carefully pour from container E64 

With LEV. 5 0 5.0 27.43 95 1.37 0.07 0.47 0.55 Wear chemically resistant gloves 

(tested to EN374) in combination with 


Provide GV E11 Avoid splashing 

C&H15 Avoid manual contact with wet 

work pieces EI17.

Industrial -SU3 Dipping, immersion [CS4] Daily; >4 hours, product Local exhaust ventilation 13 -Treatment of 

and pouring. [CS4] 

temp. (ambient) at open surface; remove articles by dipping 


Industrial -SU3 Laboratory activities [CS36] small scale activities 

15 - Use of 

[CS36] 

small amount, daily 15 

laboratory 

min 



Industrial -SU3 Material transfers [CS3]. [CS8]. Daily; 15 min - 1 hour; wear goggles and gloves 9 -Transfer of 

[CS3]. Drum/batch [CS22]. product temp; 

chemicals into 

transfers [CS8]. 


Transfer from/pouring 

(dedicated filling 

from containers [CS22]. 

line) 

Industrial -SU3 Production of 

[CS100]. Daily; 15 min - 1 hour; wear goggles and gloves 14 - Production of 

preparations or articles 

product temp (ambient); 


by tabletting, 

articles by 


tabletting, 

pelletisation [CS100]. 

compression, 

extrusion, 





in container 





SU3/ SU10 

temp; 



sampling) 

Uses in Coatings Professional - Filling / preparation of [CS45] closed, continuous PROC8b 

SU22 equipment (from drums 

Dedicated 

or containers). CS45] 


vessels 

Professional - General exposures [CS15 ] Continuous; daily; 8hour Enclosed process; PROC1/2 Closed 

SU22 (closed systems) 


[CS15]. Use in 



contained systems 

[CS38] 

Professional - Preparation of material [CS 96]. 

closed, continuous 3 - Use in closed 

SU22 for application. [CS 96]. [CS29]. 

batch process 

Mixing operations 

(synthesis or 


formulation) 

[CS29]. 

Combined Professional - Film formation - air [CS95]. outdoor 4 - Use in batch 

SU22 drying. [CS95]. Outdoor [OC9]. 


[OC9]. 




Professional - Film formation - air [CS95]. Daily; >4 hours, product Good general ventilation 4 - Use in batch 

SU22 drying. [CS95]. Indoor [OC8]. temp (ambient); Indoor (equivalent to outdoors) and other process 

[OC8]. 

supplemenetd with LEV (synthesis) where 



Combined Professional - Preparation of material [CS 96] . indoor, outdoor with and batch, indoor. With and 5 -Mixing or 

SU22 for application. [CS 66] [CS30]. without LEV, 1 - 4 hours without LEV. 


Mixing operations (open [CS9]. [OC8]. 

processes 






Indoor [OC8]. 

Professional - Preparation of material [CS 96] Outdoor; 1 - 4 hours 5 -Mixing or 

SU22 for application. [CS 66] [CS30] [CS9] 


Mixing operations (open [OC9] 

processes 







Professional - Material transfers. [CS3] Daily; 15 mins - 1 hour; Pumped transfer from 8a -Transfer of 

SU22 [CS3]. Pumped [CS107] product temp (ambient), drum to equipment. with chemicals from/to 

Drum/batch transfers [CS8] indoor, outdoor and without LEV vessels/ large 

[CS8]. 

containers at non 

dedicated facilities 

comined Professional - Roller, spreader, flow [CS98] [OC8] indoor, Daily, > 4 hours 10 - Roller 

SU22 application. [CS69]. 


Indoor [OC8]. 

brushing 

Professional - Roller, spreader, flow [CS98]. outdoor, Daily, >4 hours PPE 10 - Roller 

SU22 application. [CS69]. [OC9]. 



brushing 

daily; ambient No LEV 1 0 1.0 6.86 80 1.37 0.01 0.47 0.49 Provide extract ventilation to points 

temp. 



PPE15 Avoid manual contact with wet 

work pieces EI17 Clear up spills 

immediately and dispose of waste 

safely E19 

>4 hours, ambient No LEV 0.5 0 0.5 0.34 0 0.34 0.01 0.12 0.12 No sppecial measures EI18 Handle in 

temp. 




>4 hours, ambient No LEV 5 0 5.0 Use of drum 

6.86 80 1.37 0.07 0.47 0.55 Use drum pumps or carefully pour from 

temp. 

pumps 

container E64. Wear suitable gloves 

tested to EN374 PPE15 Avoid spillage 

when withdrawing pump C&H16 



>4 hours, ambient No LEV 5 0 5.0 3.43 0 0.34 0.07 0.12 0.19 No specific measures identified EI18 

temp. 

Provide extract ventilation to points 



PPE15 

daily; ambient No LEV 10 80 2 LEV 

13.71 90 1.37 0.03 0.47 0.50 Drain down system prior to equipment 

temp. 

effectiveness 

break-in or maintenance. E65 Wear 

assumed to 


equate to SOP 


relating to 

employee training PPE16 Wear 

draining etc 

suitable coveralls to prevent exposure 

prior to 

to the skin PPE27 Retain drain downs 

maintence 

in sealed storage pending disposal or 

daily; ambient outdoor activity 1 0 1 1.37 0 1.37 0.01 0.47 0.49 Store 

for s bseq 

substance 

ent rec 

within 

cle 

a 

ENVT4 

closed 

temp. 



>4 hours, ambient No LEV 5 0 5 6.86 80 1.37 0.07 0.47 0.55 Use drum pumps or carefully pour from 

temp. 

container [E64]. Ensure material 

transfers are under containment or 

extract ventilation [E66]. Wear suitable 

gloves tested to EN374 [PPE15] 

provide GV E11 

>4 hours, ambient No LEV 1 0 1 1.37 0 1.37 0.01 0.47 0.49 Handle substance within a closed 

temp. 

system [E47]. Provide extract 

ventilation to points where emissions 

occur [E54]. [Wear suitable gloves 

tested to EN374] [PPE15]. 

daily; ambient No LEV 1 0 1 0.34 0 0.34 0.01 0.12 0.13 No special measures EI18 GV E40 

temp. 

{Clear up spills immediately and 

dispose of waste safely [EI9]}. {Wear 


[PPE15]}. 

8 hrs No LEV 5 0 5 6.86 80 1.37 0.07 0.47 0.55 Ensure operation is undertaken 

outdoors [E69]. Wear suitable gloves 

tested to EN374 [PPE15]. Ensure 


exposures EI19 [Avoid manual contact 

with wet work pieces] [EI17] 

daily; ambient No LEV 5 0 5 6.86 80 1.37 0.07 0.47 0.55 Provide GV [E40]. Wear suitable 

temp. 

gloves tested to EN374 [PPE15] 

Ensure operatives are trained to 

minimise exposures EI19 [Avoid 

manual contact with wet work pieces] 

[EI17] 

>4 hours, ambient No LEV 5 0 5 13.71 90 1.37 0.07 0.47 0.55 Provide a good standard of general or 

temp. 

controlled ventilation (5 to 15 air 

changes per hour) (E11] Wear 



employee training. [PPE16]. 

>4 hours, ambient No LEV 5 0 5 13.71 90 1.37 0.07 0.47 0.55 Ensure operation is undertaken 

temp. 

outdoors (E69] Wear chemically 



training. [PPE16]. 

daily; ambient No LEV 5 0 5 13.71 90 1.37 0.07 0.47 0.55 Provide GV E40 or outdoors E69 Use 

temp. 

drum pumps or carefully pour from 

container E64 Wear chemically 



training. [PPE16]. 

> 4 hours; daily; With LEV 5 0 5 16.46 90 1.65 0.07 0.57 0.64 Use ventilation to extract vapours from 

ambient temp; 

freshly coated articles/objects and 

4 hours; daily; No LEV 5 0 5 16.46 90 1.65 0.07 0.57 0.64 Use ventilation to extract vapours from 

ambient temp. 

freshly coated articles/objects and 

surfaces[E56]}. Wear chemically 



training. [PPE16].Limit the substance 

content in the product to 25 % OC18 


minimise exposures EI19 Use long 

handled brushes and rollers where 

gloves 

gloves

Combined Professional - Manual spraying. [CS24] [OC8]. Daily; >4 hours, Vented spray booth; 11- Non industrial 


Indoors, 



Professional - Manual spraying. [CS24] [OC8]. Daily; >4 hours, Vented spray booth; 11- Non industrial 


Indoors, 


vapour phase 


Combined Professional - Manual spraying. [CS24] outdoor , 4 hour PPE 11- Non industrial 


spraying 

[OC9]. 

Professional - Manual spraying. [CS24] outdoor , 4 hour PPE 11- Non industrial 


spraying 

[OC9]. vapour phase 

Combined Professional - Dipping, immersion [CS4] [OC8] Daily; >4 hours, product Local exhaust ventilation 13 -Treatment of 


temp (ambient) at open surface; remove articles by dipping 

Indoor [OC8]. 


Professional - Dipping, immersion [CS4] [OC9] Daily; >4 hours, product PPE 13 -Treatment of 


temp (ambient), outdoor. 

articles by dipping 


and pouring 

Professional - Laboratory activities [CS36] Daily; >4 hours, product 

15 - Use of 

SU22 [CS36] 


laboratory 



Combined Professional - Hand application - [CS72] [OC8] Daily; >4 hours, product indoor 19 - Hand-mixing 

SU22 fingerpaints, pastels, 


with intimate 



Indoor [OC8]. 

available 

Professional - Hand application - [CS72]. 15 minutes; product outdoor, PPE 19 - Hand-mixing 

SU22 fingerpaints, pastels, [OC9]. temp (ambient) 

with intimate 




available 

Professional - Clean down and CS39 Daily; >4 hours vessel entry procedures, PROC8a 






SU22 

temp; 



Use as a fuel Industrial -SU3 Bulk transfers (barge, CS14 Daily; 1 - 4 hours; Enclosed transfers, clear PROC8b 

rail and road) 

ambient temp. lines prior to decoupling Dedicated 

Discharging 


Industrial -SU3 Transfers from drums CS8 Daily; 1 - 4 hours; Pumped transfer from PROC8b 

and containers 

ambient temp. drum to equipment Dedicated 

Discharging 



temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 

With LEV. 20 90 2 2.14 80 0.43 0.03 0.15 0.18 Carry out in a vented booth or 

extracted enclosure[E57]. Provide GV 

E40 Wear suitable gloves tested to 

EN374 [PPE15] Wear suitable 

coveralls to prevent exposure to the 

skin PPE27 Segregate the activity 



With LEV. 100 90 4.2 2.14 80 0.43 0.60 0.15 0.75 Carry out in a vented booth or 

Combine in narrative Industrial -SU3 General use exposures CS15 Daily; >4 hours Closed equipment PROC1 & 2 Use 

as a fuel 

as a fuel 

Industrial -SU3 Use a fuel GES16, Daily; >4 hours, to 100% Closed equipment PROC16 - use as 

CS107 

a fuel 

Industrial -SU3 Use a fuel additive GES16, Daily; >4 hours, to 100% Closed equipment PROC3 Closed 

diluent 

CS107 


sampling) 

Industrial -SU3 Vehicle/boiler CS39 Daily; >4 hours, to 100% PPE. Operator training. PROC8a Nondedicated 

maintenance 

(changed 

from CS5) 

Discharging 


Industrial -SU3 Cleaning fuel storage CS103 Infrequent; >4 hours vessel entry procedures, PROC8a 

tanks 



disposal,. PPE. 


temp; 



sampling) 

Use as a fuel Professional - Bulk transfers (e.g. CS14 Daily; 1-4 hour; ambient Enclosed transfers, clear PROC8b 

SU22 heating oil and diesel 

temp., Outdoors lines prior to decoupling Dedicated 

deliveries) 

Discharging 


Professional - Transfers from drums CS8 Daily; 15 mins - 1 hour; Pumped transfer from PROC8b 

SU22 and containers 

ambient temp 

drum to equipment Dedicated 

Discharging 


Professional - Refuelling vehicles, CS507 Daily; >4 hours, to 100% Pumped transfer to PROC8b 

SU22 light aircraft or marine 

vehicle 

Dedicated 

Discharging 


Combine in narrative Professional - General use exposures CS15 Daily; >4 hours Closed equipment PROC1 & 2 Use 

SU22 as a fuel 

as a fuel 

Professional - Use a fuel additive GES16, Daily; >4 hours, Closed equipment PROC3 Closed 

SU22 diluent 

CS107 


sampling) 

Professional - Use a fuel GES16, Daily; >4 hours Closed equipment PROC16 - use as 

SU22 

CS107 

a fuel 

Professional - Equipment 

CS39 Daily; >4 hours PPE. Operator training. PROC8a 

SU22 maintenance e.g. 

Discharging 

Vehicle, boiler, pump 


maintenance, pump 

calibration 

Professional - Vessel / container CS103 Daily; >4 hours vessel entry procedures, PROC8a 

SU22 cleaning 





SU22 

temp; 



Use as a lubricant Industrial -SU3 General exposures CS15 Continuous; daily; Closed processes PROC1 and 

from enclosed 

ambient temp. 

PROC2 Closed 

processes 

process 

Combine in narrative Industrial -SU3 General exposures CS15 Continuous; daily; Enclosed process; PROC3 Closed 

with row above 

from closed processes 



sampling) 

Combine in narrative Industrial -SU3 General exposures CS16 Continuous; daily; Enclosed transfers, with PROC4 Batch 


ambient temp. lev at mixing vessels process with 

exposure 

Industrial -SU3 General exposures CS16 Continuous; daily; Enclosed transfers, PROC4 Batch 


ambient temp. 

process with 


exposure 


temp. 


ambient temp. 


ambient temp. 


ambient temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


ambient temp. 


ambient temp. 


ambient temp. 


temp. 


temp. 


temp. 


temp. 


temp. 


temp. 

No LEV 1 0 1 1.37 0 1.37 0.01 0.47 0.49 No specific measures identified EI18 



Handle substance within a closed 

system E47. 

No LEV 5 80 1 13.71 90 1.371 0.01 0.47 0.49 Drain down system prior to equipment 

SOPs assumed to offer 

break-in or maintenance. E65 Transfer 

equivalent LEV 

via enclosed lines E52 Wear 

effic shown 


EN374) PPE16 Wear suitable 


skin PPE27 Retain drain downs in 

sealed storage pending disposal or for 

subsequent recycle. ENVT4 

No LEV 5 80 1 LEV efficiency 13.71 90 1.371 0.01 0.47 0.49 Apply vessel entry procedures 

from forced air 


assumed to 


equate to same 

equipment break-in or maintenance. 

as LEV 


Wear chemically resistant gloves 

(tested to EN374) PPE16 Wear 

suitable coveralls to prevent exposure 

to the skin PPE27 Retain drain downs 

in sealed storage pending disposal or 

for subsequent recycle. ENVT4 




No LEV 5 0 5 6.86 80 1.37 0.07 0.47 0.55 Provide a good standard of general 


hour) E40 or Ensure operation is 

undertaken outdoors E69 Clear lines 

prior to decoupling. E39 Wear suitable 

gloves tested to EN374. PPE15 

No LEV 5 80 1 Use of pumped 6.86 80 1.37 0.01 0.47 0.49 Use drum pumps or carefully pour from 

transfer 

container. E64 Wear suitable gloves 

assumed to 


deliver LEV effic 

when withdrawing pump. C&H16 

shown 

No LEV 5 0 5 Use of pumped 6.86 80 1.37 0.07 0.47 0.55 Use drum pumps or carefully pour from 

transfer 

container. E64 Wear suitable gloves 

assumed to 


deliver LEV effic 

when withdrawing pump. C&H16 Deal 

shown 

with spills immediately. C&H13 



No LEV 20 30 14 general 

0.34 0 0.34 0.20 0.12 0.32 Provide a good standard of general 

ventilation or 


use outdoors 

hour) E40 or Ensure operation is 

undertaken outdoors E69 Handle 

substance within a closed system E47. 

No LEV 5 80 1 SOPs assumed 13.71 90 1.37 0.01 0.47 0.49 Drain down system prior to equipment 

to offer 

break-in or maintenance E55 Good GV 



effic shown 


(tested to EN374) PPE16 Retain drain 

downs in sealed storage pending 

disposal or for subsequent recycle. 

ENVT4 

With supplied air 5 0 5 13.71 90 1.37 0.07 0.47 0.55 Drain down system prior to equipment 

ventilation, PTW 

break-in or maintenance. E65 Wear 


EN374) PPE16 Wear suitable 


skin PPE27 Retain wash downs in 

sealed storage pending disposal. 

ENVT4 

outdoor activity 0.01 0 0.01 0.34 0 0.34 0.00 0.12 0.12 Store substance within a closed 

system. E84 

No LEV 0.5 0 0.5 1.37 0 1.37 0.01 0.47 0.48 Handle substance within a closed 

system E47 Provide extract ventilation 

to points where emissions occur E54 




With LEV 5 90 0.5 0.69 0 0.69 0.01 0.00 0.01 Ensure material transfers are under 





PPE15 






PPE15

Industrial - Bulk transfers CS14 Daily; 15 min - 1 hour; 

SU3/ SU10 



Combine in narrative Industrial -SU3 Filling preparation of CS45 Daily; 15 mins - 1 hour; 


ambient temp 

or containers 

Industrial -SU3 Filling preparation of CS45 Daily; 15 mins - 1 hour; 


ambient temp 

or containers 

Industrial -SU3 Initial Factory fill of CS75 Continuous; 8 hours; 

equipment 

daily; ambient temp. 

Combine in narrative Industrial -SU3 Operation and 

CS17 Indoor, Daily; 8 hours; 


ambient temp. 





ambient temp. 






ambient temp. 





ambient temp. 




CS13 Indoor, Daily; 8 hours, 


ambient temp, 

Automated 


or brush 

Industrial -SU3 Treatment of articles by CS35 Indoor, Daily; 8 hours, 


ambient temp, automatic 

dipping in a bath 

Combine in narrative Industrial -SU3 Spraying CS10 Indoor, Daily; 8 hours, 

ambient temp, 

automated spraying 

Industrial -SU3 Spraying (vapour CS10 automatic spraying at 

phase) 

room temperature 

continuous 

Combine in narrative Industrial -SU3 Maintenance (of larger CS77 Daily; 1-4 hours; 


ambient temp; 


Industrial -SU3 Maintenance (of larger CS77 Daily; 1-4 hours; 


Elevated temp (30o 


above ambient) 

Industrial -SU3 Draining equipment CS18 Daily; 1 - 4 hours; 

(small items) 

ambient temp. 

Enclosed transfers, PROC8b 


vented transfer points; Dedicated temp. 

clear lines prior to discharging to/from 

decoupling 

vessels 

Manual filling of PROC8a Nondedicated 

temp. 




points; PPE 

Restrict area of PROC 17 >4 hours, ambient 



points; PPE 




points; PPE 




points; PPE 

PPE PROC 10 Roller or >4 hours, ambient 


Cabinet to allow the PROC 13 Dipping >4 hours, ambient 

dipping and the dripping and pouring temp. 

of the pieces. PPE 

LEV, Spraying cabinet PROC 7 >4 hours, ambient 

with capture of the 

temp. 

aerosols, PPE 

spraying cabinet with PROC 7 >4 hours, ambient 

capture of the aerosols 

temp. 

Enclosed 

PROC8b >4 hours, ambient 

transfers,vented transfer Discharging temp. 

points; clear lines prior to to/from vessels 


Enclosed transfers, PROC8b >4 hours, ambient 

vented transfer points; Discharging temp. 

clear lines prior to to/from vessels 


Retain drainings in PROC8a 50oC) lubricant is likely) E67 Clear 

transfer lines prior to decoupling E39 

Wear suitable gloves (tested to 

EN374) PPE15 

No LEV 5 0 5 13.71 90 1.371 0.07 0.47 0.55 Provide a good standard of controlled 


hour). E11 Wear chemically resistant 

gloves (tested to EN374) in 


training. PPE16 Avoid manual contact 

with wet work pieces EI17 Retain drain 



ENVT4

Industrial -SU3 Remanufacture of CS19 Daily; 1-4 hours; Retain drainings in PROC9 - Transfer 

reject articles 

ambient temp; sealed storage pending of chemicals into 

disposal. PPE. 



temp; 



sampling) 

Use as a lubricant Professional - General exposures CS15 Continuous; daily; Closed processes PROC1 and 

SU22 from enclosed 

ambient temp. 

PROC2 Closed 

processes 

process 

Combine with row Professional - General exposures CS15 Continuous; daily; Enclosed process; ; PROC3 Closed 

above in narrative SU22 from closed processes 



sampling) 

Professional - Operation of equipment CS26 Daily; >4 hours, ambient None. Fluid inside PROC 20 Heat 

SU22 containing engine oils 

equipment 

and pressure 

and similar 

transfer fluids 


PROC4 not in ATIEL Professional - General exposures CS16 Continuous; daily; Enclosed transfers, PROC4 Batch 

mapping 


ambient temp. 

process with 

exposure 

Combine in narrative Professional - General exposures CS16 Continuous; daily; Enclosed transfers, PROC4 Batch 


ambient temp. 

process with 


exposure 

Professional - Bulk transfers (e.g. CS14 Daily; 1-4 hour; ambient Enclosed transfers, clear PROC8b 

SU22 deliveries to 

temp. 

lines prior to decoupling Dedicated 

dealerships) 

Discharging 


Professional - Filling preparation of CS45, CS81 Daily; 15 mins - 1 hour; Pumped transfer or use PROC8b 


ambient temp 

of dedicated container. Discharging 

or containers - 

Eye protection, Gloves, to/from vessels 


Apron 

(dedicated) 

Professional - Filling preparation of CS45, CS82 Daily; 15 mins - 1 hour; Pumped transfer or use PROC8a Nondedicated 


ambient temp 

of dedicated container. 

or containers - non 

Eye protection, Gloves, discharging 


Apron 



SU22 lubrication of high (indoor) ambient temp. Indoors openings; extract Lubrication at high 



points 




ambient temp. openings; extract Lubrication at high 




points 







points 








points 

Covers total loss Professional - Operation and 


equipment with spray SU22 lubrication of high (outdoor) ambient temp. Outdoors 


potential, e.g. chain 

energy open 


saws 

equipment, e.g. chain 

saw 




ambient temp. 





Combine in narrative Professional - Maintenance and 

CS77 Daily; 1-4 hours; Enclosed 

PROC8b 


ambient temp; transfers,vented transfer Dedicated 

points;; clear lines prior discharging to/from 

to decoupling 

vessels 


temp. 


temp. 


temp. 


temp. 


ambient temp. 


temp. 


temp. 


temp. 


temp. 

1-4 hours, 

ambient temp. 

1-4 hours, 

ambient temp. 

1-4 hours daily; 

ambient temp. 

No LEV 5 0 5 6.86 80 1.372 0.07 0.47 0.55 Provide a good standard of controlled 


hour). E11 Retain drain downs in 


subsequent recycle. ENVT4 Wear 


PPE15 





system E47 Provide GV E40 Wear 

gloves when breaching PPE15 




No LEV 5 0 5 1.71 0 1.71 0.07 0.59 0.66 No special measures EIi18 Use in 

enclosed systems and restrict area of 

openings E49 Provide GV E11 

With LEV 5 0 5 6.86 80 1.372 0.07 0.00 0.07 Provide extract ventilation to points 



PPE15 

With LEV 10 70 3 Enhanced GV 6.86 80 1.37 0.43 0.47 0.90 Provide a good standard of controlled 


hour) E40 Provide extract ventilation 



PPE15 

No LEV 5 0 3 (

Professional - Maintenance and 

CS77 Daily; 1-4 hours; Enclosed transfers, PROC8b 1-4 hours daily; 


Elevated temp (30o vented transfer points; Discharging elevated temp. 

above ambient) clear lines prior to to/from vessels 

decoupling 

(dedicated) 

Professional - Draining equipment CS18 Daily; 1-4 hours; Retain drainings in PROC8a 1-4 hours daily; 

SU22 (small items) e.g. 

Elevated temp (30o sealed storage pending Discharging elevated temp. 

engine drains 

above ambient) disposal. PPE. 


non dedicated 

Professional - Engine lubricant service CS78 Daily; 1-4 hours; None PROC9 - Transfer daily; ambient 

SU22 - to cover small 

ambient temp; 

of chemicals into temp. 

additions of oil to 


engines 

Combine in narrative Professional - Manual roller 

CS13 Indoor, Daily; 8 hours, PPE. If LEV applied (to PROC 10 Roller or >4 hours, ambient 

1. LEV 


product temp (ambient); provide options for RMM) brush application temp. 


Automated 


or brush 

2. General ventilation Professional - Manual roller 






Automated 


or brush 

3. RPE Professional - Manual roller 

CS13 Indoor, Daily; 8 hours, PPE. If ventilation PROC 10 Roller or >4 hours, ambient 


product temp (ambient), inadequate and RPE brush application temp. 


Automated 

applied (to provide 

replenishment of roller options for RMM) 

or brush; Solvent 

concentration 95% or 

greater for cleaners/ 

Combine in Professional - Spraying CS10 CS10 Indoor or outdoor, Daily; Respiratory protection, PROC 11 Spraying >4 hours, ambient 

narrative. 

SU22 

15 min - 1 hour, product eye protection, gloves. If - non-industrial temp. 

1. LEV 

temp (ambient), LEV applied (to provide 

selection of spray options for RMM) 




Vapour phase Professional - Spraying CS10 >4 hours, ambient 


temp. 


applied 

Combine in narrative Professional - Spraying CS10 CS10 Indoor or outdoor, Daily; Respiratory protection, PROC 11 Spraying >4 hours, ambient 

with 'alternative' SU22 

15 min - 1 hour, product eye protection, gloves - non-industrial temp. 

phrases 

temp (ambient), 

2. General ventilation 

selection of spray 

and RPE 




Vapour phase Professional - 



temp. 


applied 

Professional - Treatment of articles by CS35 Indoor, Daily; 8 hours, Cabinet to allow the PROC 13 Dipping >4 hours, ambient 

SU22 dipping and pouring 

ambient temp, automatic dipping and the dripping and pouring temp. 

(CS35) 

dipping in a bath of the pieces. PPE 

Professional - Storage CS67 Daily; 8 hrs; ambient samples collected at PROC1 Closed daily; ambient 

SU22 

temp; 



Metal working Industrial -SU3 General exposures CS15 Indoor, Daily; 8 hour; Closed processes PROC1 and >4 hours, ambient 

fluids / rolling oils 


ambient temp. 


process 

Industrial -SU3 General exposures CS15 Indoor, Daily; 8 hour; Enclosed process; ; PROC3 Closed >4 hours, ambient 

(closed systems) , 

ambient temp. closed/semi-closed batch process (with temp. 

including closed EDM 


sampling) 

processes 

No LEV 25 80 5 1-4 hours daily 0.69 80 0.14 0.07 0.05 0.12 Provide extract ventilation to emission 

(0.6x); E67 

points when contact with warm 

conveys 90% 

(>50oC) lubricant is likely) E67 Clear 

efficiency 

transfer lines prior to decoupling E39 


PPE15 

Provide a good standard of general 

No LEV 50 80 7 SOP re drain 

13.71 90 1.37 0.10 0.47 0.58 downs (E81); 


Good general 

hour) E11 Drain or remove substance 

ventilation 

from equipment prior to break-in or 

(0.7x); 

maintenance E81. Wear chemically 



training.. PPE16 Retain drain downs in 


subsequent recycle. ENVT4. 



hour) E11 Wear suitable gloves tested 

to EN374 with basic training PPE16 







specific activity training . PPE17 















With LEV 20 80 4 2.14 80 0.43 0.06 0.15 0.21 Carry out in a vented booth or 

extracted enclosure E57 Wear 

suitable gloves tested to 

EN374.PPE15 Provide a good 

standard of general ventilation (3 to 5 

air changes per hour) E11 

With LEV 100 90 5.95 90% effic LEV 

2.14 90 0.21 0.85 0.07 0.92 Minimise exposure by enclosing the 

required (= E60) 

operation or equipment and provide 

: additional GV 

extract ventilation at openings E60 

(E11) ; trained 

Provide GV E11 Wear chemically 

personnel 


(0.85x) 


training PPE16 Ensure operatives are 


Segregate the activity away from other 

operations E63 

No LEV 20 90 2 RPE APF 10 

64.2 98 1.28 0.03 0.44 0.47 If technical measures not practical: 

(x0.05) 

G16 Provide a good standard of 

controlled ventilation (10 to 15 air 

changes per hour). E11 Limit the 

substance content in the product to 25 

% OC18 Wear a respirator conforming 

to EN140 with Type A filter or better 

PPE22. Wear chemically resistant 


combination with intensive 

management supervision 

controls.PPE18 Cover skin PPE 27 

Segregate the activity away from other 

operations E63 

No LEV 100 95 3 RPE APF 20 

64.2 98 1.28 0.43 0.44 0.87 Provide a good standard of controlled 

(x0.05) ;

Industrial - General exposures CS16 Daily; Indoor; 15 - 1 Enclosed transfers, clear PROC4 Batch >4 hours, ambient 

SU3/ SU10 open batch process, 

hour; product temp. lines prior to decoupling process with temp. 

including open EDM 

exposure 

processes 

Industrial -SU3 Bulk transfers CS14 Indoor, Daily; 15 mins - Enclosed transfers, clear PROC8b 


1 hour; product temp lines prior to decoupling Dedicated temp. 

(ambient) 


vessels 

Combine in Industrial -SU3 Filling preparation of CS45 Indoor, Daily; 15 mins - Pumped transfer or use PROC8b 4 hours; ambient 


1 hour; product temp of dedicated container. blending in batch temp. 

or containers (CS45) - 

(ambient) 

Eye protection, Gloves, process 

(ATIEL identified 3 

Apron 

PROCs for this activity) 

Industrial -SU3 Filling preparation of CS45 Indoor, Daily; 15 mins - Pumped transfer or use PROC9 Dedicated >4 hours, ambient 


1 hour; product temp of dedicated container. filling line temp. 

or containers (ATIEL 

(ambient) 

Eye protection, Gloves, 

identified 3 PROCs for 

Apron 

this activity) 

Industrial -SU3 Process sampling. CS2 Indoor, Daily; 15 mins - Dedicated pipette. No PROC3 Closed >4 hours, ambient 

Drawing sample into a 

1 hour; product temp hand immersion. PPE batch process (with temp. 

pipette for testing 

(ambient) 

sampling) 

Industrial -SU3 Metal Machining 

CS79 Indoor, Daily; 8 hours; Restrict area of PROC 17 >4 hours, ambient 

Operations 

product temp (ambient) openings; extract Lubrication at high temp. 


points; PPE 

Industrial -SU3 Treatment of articles by CS35 Indoor, Daily; 8 hours, Cabinet to allow the PROC 13 Dipping >4 hours, ambient 


product temp (ambient), dipping and the dripping and pouring temp. 

automatic dipping in a of the pieces. PPE 

bath 

Combine in narrative Industrial -SU3 Spraying CS10 Indoor, Daily; 8 hours, LEV, Spraying cabinet PROC 7 


product temp (ambient), with capture of the 

temp. 

automated spraying aerosols, PPE 

Vapour phase Industrial -SU3 >4 hours, ambient 

temp. 






Automated 


or brush 

Elevated 

Industrial -SU3 Automated metal 

CS80 Indoor. Continuous; Enclosed vented cabinet PROC2 >4 hours, ambient 

temperature 


daily; 8hour; elevated with blow off system to 

temp. 


temperature (120 deg contain mist/vapour; 



product recovery and 

volatility 

operation; Remote recirculation; Gloves, 

operation 

eye protection, overalls. 

Elevated 

Industrial -SU3 Semi-automated metal CS83 Indoor. Continuous; LEV canopy; product PROC 17 - >4 hours, ambient 

temperature 


daily; 8hour; elevated recovery and 

lubrication at high temp. 


temperature (120 deg recirculation; Gloves, energy conditions 



eye protection, overalls. and in partly open 

volatility 

operation; manual 

process 

intervention 

Vapour phase. Industrial -SU3 >4 hours, ambient 

temp. 

Industrial -SU3 Oil/water-based PROC4 Open >4 hours, ambient 

batch process (with temp. 

sampling) 






PPE15 










No LEV 5 0 5 6.86 80 1.372 0.07 0.47 0.55 Transfer via enclosed lines E52 Use 


container E64 


No LEV 5 0 5 13.71 90 1.371 0.07 0.47 0.55 Transfer via enclosed lines E52 Use 


container E64 Provide good GV E11 

Wear gloves tested to EN374 with 

basic training PPE16 




PPE15 

No LEV 3 0 3 0.34 0 0.34 0.04 0.12 0.16 No special precuations EI18 Ensure 





With LEV 50 90 5 90% ventilation 1.37 0 1.37 0.07 0.47 0.55 Minimise exposure by partial enclosure 

reflceted in E60 


phrase; 


E60 Provide a good standard of 

general ventilation (3 to 5 air changes 

per hour) .E11 Wear suitable gloves 



where emissions occur E54. Allow time 

for product to drain from work pieces 

EI21 Automate activity where possible 

AP16 Wear chemically resistant gloves 


manual contact with wet work pieces 

With LEV 20 95 1 2.14 80 0.43 0.01 0.15 0.16 Minimise exposure by enclosing the 



provide GV E11 Automate activity 

where possible AP16 Wear a respirator 

conforming to EN140 with Type A/P2 

filter or better PPE29. Wear gloves 

tested to EN374, coveralls and eye 

protection PPE23 

With LEV 100 95 5 2.14 80 0.43 0.71 0.15 0.86 Minimise exposure by enclosing the 



provide enhanced GV E48 Automate 

activity where possible AP16 Wear a 


Type A/P2 filter or better PPE29. 

Wear gloves tested to EN374, 

coveralls and eye protection PPE23 

No LEV 5 0 5 27.43 95 1.37 0.07 0.47 0.55 Wear suitable gloves tested to EN374 

with specific employee training PPE17 

Provide a good standard of general 

ventilation E11 Use long handled 

brushes and rollers where possible.E58 

With LEV 1 90 0.1 0.14 0 0.14 0.00 0.05 0.05 Handle substance within a closed 




where emissions occur E54. Restrict 



(tested to EN374) PPE15 Segregate 

the activity away from other operations 

E63 


where emissions occur E54. Restrict 



(tested to EN374) PPE15 Segregate 

the activity away from other operations 

E63 






PPE15

Note: differentiated Industrial -SU3 Equipment cleaning CS39 Indoor, Daily; 1 - 4 Enclosed transfer, clear PROC8b 

dedicated and nondedicated 

facility for 

Dedicated facility CS81 

retain drainings in sealed discharging to/from 

and maintenance - 

hours; ambient temp. lines prior to decoupling; Dedicated 

equipment cleaning - 

storage pending vessels 

both identified by 

disposal. PPE 

ATIEL - combined in 

narrative as CS39 

Industrial -SU3 Equipment cleaning 

Indoor, Daily; 1 - 4 Collect waste and retain PROC8a 

and maintenance -Nondedicated 

facility 

storage pending to/from vessels 

hours; ambient temp. drainings in sealed Discharging 

(CS82) 

disposal. PPE 

Industrial -SU3 Material Storage CS67 Continuous; daily; 8hour Enclosed process; PROC1/2 Closed 




sampling) 

Use as binders and Industrial -SU3 Bulk transfers from CS3 Daily; 1 - 4 hours; Enclosed transfers, clear PROCs 1-3 

release agents 

storage to mixing 

ambient temp. lines prior to decoupling contained 

vessels 

processes 

Industrial -SU3 Transfers to mixing CS8 Daily; 15 mins - 1 hour; Pumped transfer from PROC8b 

vessels from drums 

ambient temp 

drum to holding tanks. Discharging 


Industrial -SU3 Mixing / blending of CS29 Daily; >4 hours Enclosed or ventilated PROC3 Closed 


mixing vessel 


binder 

sampling) 

Industrial -SU3 Mixing / blending of CS30 Daily; >4 hours Enhanced general PROC4 Open 


ventilation 


binder 

sampling) 

Industrial -SU3 Forming moulds from CS31 Daily; >4 hours, ambient PPE PROC14 

foundary sand 

temp 

Production by 

tabletting, 

compression, 

Combine in narrative Industrial -SU3 Emissions from casting CS32, CS108 Daily; 1 - 4 hours; Enhanced general PROC6 Open 

into moulds 



elevated 

temperature 

Industrial -SU3 Emissions from casting CS32, CS108 Daily; 1 - 4 hours; Enhanced general PROC6 Open 

into moulds (vapour 


phase) 


elevated 

temperature 

Combine in narrative Industrial -SU3 Applying release agent CS10, CS33 Daily; 1 - 4 hours; Enclosed or ventilated PROC7 

to moulds and 


shuttering 

Automation. 

spraying 

Industrial -SU3 Applying release agent CS10, CS33 Daily; 1 - 4 hours; Enclosed or ventilated PROC7 

to moulds and 


shuttering (vapour 

Automation. 

spraying 

phase) 

Industrial -SU3 Applying release agent CS13 Daily; 1 - 4 hours; PPE PROC10 Roller 

to moulds and 

ambient temp. 

application and 

shuttering 

brushing 

Combine in narrative Industrial -SU3 Applying release agent CS10, CS34 Daily; 1 - 4 hours; PPE, face mask PROC7 

to moulds and 

ambient temp. 


shuttering 

spraying 

Industrial -SU3 Applying release agent CS10, CS34 Daily; 1 - 4 hours; PPE, face mask PROC7 

to moulds and 

ambient temp. 


shuttering (vapours) 

spraying 

Industrial - maintenance of CS5 Daily; 1-4 hours, work methods, drain prior PROC8a 


ambient 

to work, retain spills, Discharging 

gloves 




temp; 



li ) 

Oil and gas field Industrial - SU3 Bulk transfers from tote CS14 Daily; 15 - 1 hour; Enclosed transfers, clear PROCs 1-3 

chemicals 

tanks and supply 

product temp (ambient). lines prior to decoupling contained 

vessels 

processes 

Industrial - SU3 Charge from drums CS45 Daily; 15 mins - 1 hour; Pumped transfer from PROC8b 

product temp (ambient) drum to holding tanks. Discharging 


(dedicated) 

Industrial - SU3 Drilling mud (re-) CS512 Daily; 1-4 hour; product Closed equipment, PROC3 Closed 

formulation 

temp (ambient); indoor enclosed or vented batch process with 


Industrial - SU3 Drill floor operations CS513 Daily; 1-4 hour per PPE PROC4 Batch 


process with 


exposure 

Combine Industrial - SU3 Operation of solids CS514 Daily; >4 hours; indoor; Local exhaust ventilation PROC4 Batch 



process with 


approx. 60 dC 

exposure 


ambient temp. 


ambient temp. 


temp. 


temp. 


temp. 


ambient temp. 


ambient temp. 


ambient temp. 


ambient temp. 


ambient temp. 


ambient temp. 


ambient temp. 


ambient temp. 


ambient temp. 


ambient temp. 

1-4 hours, 

ambient temp. 


temp. 


temp. 


temp. 


ambient temp. 


ambient temp. 



temperature 

No LEV 5 80 1 SOPs assumed 13.71 90 1.37 0.01 0.47 0.49 Drain down system prior to equipment 

to offer 




effic shown 





ENVT4 

Drain down system prior to equipment 

No LEV 5 80 1 SOPs assumed 13.71 90 1.37 0.01 0.47 0.49 to offer 




effic shown 





ENVT4 




No LEV 3 0 3 1.37 0 1.37 0.04 0.47 0.52 Handle within contained systems E47 



wear gloves PPE15 clear lines prior to 

decoupling E39 remote vent vapours 

ENVT17 

With LEV 5 0 5 6.86 80 1.37 0.07 0.47 0.55 Use drum pumps E53 Wear gloves 

(80%) PPE15 Avoid spillage on 

withdrawal C&H16 GV E40 

No LEV 3 0 3 1.37 0 1.37 0.04 0.47 0.52 No psecial measures EI18 Use GV 

E11 wear gloves PPE15 Provide 

extract ventilation to points where 

emissions occur E54 

No LEV 5 0 5 13.71 90 1.37 0.07 0.47 0.55 Provide GV E11 Wear gloves (90%) 

PPE16 Provide extract ventilation to 

points where emissions occur E54 

No LEV 5 0 5 3.43 80 0.69 0.07 0.24 0.31 Provide GV E11 Wear gloves (90%) 



With LEV 25 90 2.5 1.37 80 0.27 0.04 0.09 0.13 Wear gloves (80%) PPE15. Apply 

extract ventilation to emissions E60 

apply GV E11 

With LEV 5 90 0.5 1.37 0 1.37 0.07 0.47 0.54 Apply extract ventilation to emissions. 

E60 apply GV E11 

With LEV 20 90 2 Use of E57 

2.14 80 0.43 0.03 0.15 0.18 Carry out in a vented booth or 

equates to 90% 

extracted enclosure. E57 wear gloves 

PPE15 automate AP16 Segregate the 

activity away from other operations 

E63 

Apply ventilation or undertake in 

With LEV 100 90 10 Use of E57 

2.14 80 0.43 0.15 0.15 0.29 equates to 90% 

ventilated enclosure. E61 wear gloves 

PPE15 automate AP16 

With LEV 5 0 5 27.43 95 1.37 0.07 0.47 0.55 Apply extract ventilation to emissions. 

E54 Wear gloves (95%). PPE17 good 

GV E11 

No LEV 100 95 5 42.86 95 2.14 0.07 0.74 0.81 Good GV E11 Wear RPE (APF=20) 

APF=20 defines LEV value; 

and gloves (95%) PPE24, PPE23 

specific activity 

Segregate E63 Ensure operatives are 

training (0.85x) 


No LEV 100 95 5 APF=20 defines 42.86 95 2.14 0.07 0.74 0.81 Good GV E11 Wear RPE (APF=20) 

LEV value; 

and gloves (95%) PPE24, PPE23 

specific activity 

Segregate E63 Ensure operatives are 



No LEV 5 0 5 13.71 90 1.37 0.07 0.47 0.55 SOP re drain downs.E65 Enclosed 

transfers E52 Wear gloves (90%) 

PPE16 



No LEV 3 0 3 1.37 0 1.37 0.04 0.47 0.52 Handle within contained systems E47 



wear gloves PPE15 clear lines prior to 

decoupling E39 remote vent vapours 

ENVT17 

With LEV 5 0 5 6.86 80 1.37 0.07 0.47 0.55 Use drum pumps E53 Wear gloves 

(80%) PPE15 Avoid spillage on 

withdrawal C&H16 GV E40 

No LEV 3 0 3 1.37 0 1.37 0.04 0.47 0.52 No psecial measures EI18 Use GV 

E11 wear gloves PPE15 Handle 

substance within a predominantly 

closed system provided with extract 


No LEV 5 0 5 13.71 90 1.37 0.07 0.47 0.55 Use outdoors E69 Wear gloves (90%) 

PPE16 Wear suitable coveralls 

capable of preventing penetration of 

the substance PPE27 Wear rubber 

boots PPE28 

With LEV. 25 90 2.5 0.69 0 0.69 0.04 0.24 0.27 Provide the operation with a properly 

sited receiving hood E71. Recirculation 

of exhaust air is not 

recommended E80 Ensure the 

ventilation system is regularly 

maintained and tested (E74). Wear 


PPE15 

0

Industrial - SU3 Operation of solids CS514 PROC4 Batch > 4 hours; daily; With LEV. 20 90 2 0.69 0 0.69 0.29 0.24 0.52 



vapour phase 


exposures 

Industrial - SU3 Cleaning of solids CS47, CS514 Daily; 15 - 1 hour; Local exhaust ventilation PROC8a > 4 hours; daily No LEV 5 0 5 13.71 90 1.37 0.07 0.47 0.55 Provide extract ventilation to points 



Discharging 

where emissions occur E54 Ensure the 




maintained and tested E74 Drain down 

system prior to equipment break-in or 

maintenance .E65 Wear gloves (90%) 

PPE16 

Industrial - SU3 Treatment and disposal CS515 Daily; 1-4 hour per Local exhaust ventilation PROC4 Batch > 4 hours; daily With LEV. 5 90 0.5 0.69 0 0.69 0.01 0.24 0.25 Provide a good standard of general 

of filtered solids 


process with 

ventilation (not less than 3 to 5 air 


exposure 


Base oil content of 


cuttings 1-5% 

occur (E54). Ensure the ventilation 

system is regularly maintained and 

tested (E74). Wear suitable gloves 

tested to EN374 (PPE15). 

Industrial - SU3 Sample collection CS2 Daily; 4 hours daily; No LEV 3 0 3 1.37 0 1.37 0.04 0.47 0.52 No psecial measures EI18 Use GV 

temp (ambient). or ventilated sampling batch process (with ambient temp. 


points 

sampling) 



Industrial - SU3 In-line injection (of CS15 Daily; >4 hours, product 

PROC1 and >4 hours, ambient No LEV 0.5 0 0.5 1.37 0 1.37 0.01 0.47 0.48 Handle substance within a closed 

process chemicals) by 

temp (ambient); Outdoor 







Industrial - SU3 Application (of process CS9 Daily; 4 hours, product Local exhaust 

PROC4 Batch > 4 hours daily; No LEV 5 0 5 13.71 90 1.37 0.07 0.47 0.55 Provide GV E11 Wear gloves (90%) 

operations 

temp (ambient); Outdoor ventilation; or Outdoor process with ambient temp. 


exposure 


Industrial - SU3 Clean down and CS39 Daily; 15 min - 1 hour; Enclosed lines; retain PROC8a Nondedicated 

ambient temp. 


1-4 hours, No LEV 5 0 5 13.71 90 1.37 0.07 0.47 0.55 SOP re drain downs.E65 Enclosed 

Maintenance 



PPE16 

in container 




Industrial - SU3 General process CS15 Continuous; daily; 8hour Enclosed process; PROC1 and >4 hours, ambient No LEV 0.5 0 0.5 1.37 0 1.37 0.01 0.47 0.48 Handle substance within a closed 

exposures from 

closed/semi-closed PROC2 Closed temp. 







Industrial - SU3 Storage CS67 Continuous; daily; 8hour; Enclosed process; PROC1 and daily; ambient outdoor activity 0.5 0 0.5 0.14 0 0.14 0.01 0.05 0.06 Store substance within a closed 

product temp. (ambient) closed/semi-closed PROC2 Closed temp. 







Oil and gas field Professional - Bulk transfers from tote CS14 Daily; 15 - 1 hour; Enclosed transfers, clear PROC8b >4 hours, ambient No LEV 5 0 5 6.86 80 1.37 0.07 0.47 0.55 Transfer via enclosed lines (E52). 

chemicals 

SU22 tanks and supply 

product temp (ambient). lines prior to decoupling Discharging temp. 

Clear transfer lines prior to de-coupling 

vessels 


(E39). Wear suitable gloves tested to 

(dedicated) 

EN374 (PPE15). Deal with spills 

immediately (C&H1). 

Professional - Charge from drums CS45 Daily; 15 mins - 1 hour; Pumped transfer from PROC8b 

daily; ambient No LEV 5 0 5 6.86 80 1.37 0.07 0.47 0.55 Use drum pumps E53 LEV to transfers 

SU22 

product temp (ambient) drum to holding tanks. Discharging temp. 

E66 Wear gloves (80%) PPE15 


Transfer materials directly to mixing 

(dedicated) 

vessels E45 

Professional - Drilling mud (re-) CS512 Daily; 1-4 hour; product Closed equipment, PROC3 Closed > 4 hours daily; No LEV 1 0 1 1.37 0 1.37 0.01 0.47 0.49 No specific measures identified EI18 

SU22 formulation 

temp (ambient); indoor enclosed or vented batch process with ambient temp. 

Handle substance within a 


predominantly closed system provided 

with extract ventilation E49 Wear 


PPE15 Ensure the ventilation system 

is regularly maintained and tested E74 

Professional - Drilling head operations CS513 Daily; 1-4 hour per 

PROC4 Batch > 4 hours daily; With LEV 5 0 5 6.86 80 1.372 0.07 0.47 0.55 Wear chemically resistant gloves 

SU22 


process with ambient temp. 



exposure 

‘basic’ employee training PPE16 Wear 

suitable coveralls capable of 

preventing penetration of the 

substance PPE27 Wear rubber boots 

PPE28 Ensure operation undertaken 

outdoors E69 

Combine in narrative Professional - Operation of solids CS514 Daily; >4 hours; indoor; Local exhaust ventilation PROC4 Batch > 4 hours; daily; With LEV. 50 80 10 0.69 0 0.69 0.15 0.24 0.38 

Provide the operation with a properly 

SU22 filtering equipment - 



sited receiving hood E71. Recirculation 

of exhaust air is not 

aerosol exposures .. 

approx. 60 dC 


Elevated temperatures 

recommended E80 Ensure the 

Operation of solids CS514 100 80 20 0.69 0 0.14 0.29 0.05 0.34 




vapour phase 


exposures 

PPE15 

Professional - Cleaning of solids CS47, CS514 Daily; 15 - 1 hour; Local exhaust ventilation PROC8a Nondedicated 

where emissions occur (E54). Ensure 

> 4 hours; daily No LEV 5 0 5 13.71 90 1.37 0.07 0.47 0.55 Provide extract ventilation to points 

SU22 filtering equipment 



the ventilation system is regularly 

vessels 


suitable gloves tested to EN374 with 

basic training (PPE16).

Professional - Treatment and disposal CS515 Daily; 1-4 hour per Local exhaust ventilation PROC4 Batch 

SU22 of filtered solids 


process with 


exposure 

Base oil content 1-5% 

Professional - Sample collection CS2 Daily; 4 hours, product Outdoor PROC1 and 

SU22 process chemicals) by 


PROC2 Closed 




Professional - Application (of process CS9 Daily; 4 hours, product Local exhaust 

PROC4 Batch 

SU22 operations 

temp (ambient) ventilation; or Outdoor process with 

exposure 

Professional - Clean down and CS39 Daily; 15 min - 1 hour; Enclosed lines; retain PROC8a Nondedicated 




in container 


Professional - General process CS67 Continuous; daily; 8hour Enclosed t i l f process; b t PROC1 and 

SU22 exposures from 

closed/semi-closed PROC2 Closed 





Professional - Storage CS55 Daily; 8 hrs; ambient samples collected at PROC1/2 Closed 

SU22 

temp; 



li ) 

Use in road and Industrial -SU3 Closed system CS15 Continuous; daily; 15 - 1 Closed processes PROC1 Closed 

construction 

applications, 

hour; product temp 

process (no 

applications 

(ambient); outdoors 

sampling) 

Combine Industrial -SU3 Closed system CS15 Continuous; daily; 15 Enclosed process; PROC2 Closed 

applications 

mins - 1 hour, outdoors Outside location; continuous process 

closed/semi-closed (with sampling) 


Industrial -SU3 Closed system CS29 Daily; 15 - 1 hour; Closed processes PROC3 Closed 

applications 

product temp (ambient) 


sampling) 

Combine Industrial -SU3 Spraying CS25 Daily; >4 hours, product Enclosed or ventilated PROC7 Spraying 


Automation. 

Industrial -SU3 Spraying CS25 Daily; >4 hours, product Enclosed or ventilated PROC7 Spraying 


Automation. 

Industrial -SU3 Material transfers CS8, CS82 Daily; >4 hours, product Pumped transfer - nondedicated 

systems Discharging 

PROC8a 




Industrial -SU3 Material transfers CS8, CS81 Daily; >4 hours, product Pumped transfer - PROC8b 

temp (ambient) dedicated systems Dedicated 


vessels 

Industrial -SU3 Rolling, brushing CS13, CS111 Daily; >4 hours, product Work areas with extract PROC10 




> 4 hours; daily With LEV. 5 90 0.5 0.69 0 0.69 0.01 0.24 0.25 Provide a good standard of general 

ventilation (not less than 3 to 5 air 



occur (E54). Ensure the ventilation 

system is regularly maintained and 

tested (E74). Wear suitable gloves 

> 4 hours daily; No LEV 3 0 3 1.37 0 1.37 No psecial measures EI18 Use GV 

0.04 0.47 0.52 ambient temp. 





temp. 



>4 hours; ambient No LEV 5 0 5 13.71 90 1.371 0.07 0.47 0.55 Transfer via enclosed lines E52 Use 

temp. 


container E64 Provide good GV E11 

Wear gloves tested to EN374 with 

basic training PPE16 

> 4 hours daily; With LEV 5 0 5 6.86 80 1.372 0.07 0.47 0.55 LEV to transfers E60 Wear gloves 

ambient temp. 

(80%) PPE15 Provide a good standard 


changes per hour) E11 

1-4 hours, No LEV 5 0 5 SOP on draining 13.71 90 1.37 0.07 0.47 0.55 wear gloves (90%). PPE16 Ensure 

ambient temp. 


equipment drained prior to 

reduction 

maintenance E65 retain drainings 

ENVT4 


temp. 



daily; ambient outdoor activity 1 0 1 1.37 0 1.37 0.01 0.47 0.49 Store outside E69 Avoid dip samples 

temp. 

E42 

>4 hours, ambient Closed process. 0.01 0 0.01 0.34 0 0.34 0.00 0.12 0.12 Handle substance within a closed 

temp. 

system E47 No other specific 

measures identified EI20 


temp. 


to points where emissions occur (E54). 

Ensure the ventilation system is 

regularly maintained and tested (E74). 


temp. 

system E47 Provide a good standard 


changes per hour) (E11) or use 

outdoors E69 wear gloves PPE15 

daily; slightly With LEV 20 95 1 LEV 2.14 80 0.43 0.01 0.15 0.16 Operation is carried out at elevated 


temperature (> then 20°C above 

temp. 

ambient temperature) (OC7). Minimise 

exposure by partial enclosure of the 






(PPE15).Segregate the activity away 

from other operations E63 

daily; vapour With LEV 100 95 5 LEV 2.14 80 0.43 0.71 0.15 0.86 Operation is carried out at elevated 

phase. 


ambient temperature) (OC7). Minimise 

exposure by partial enclosure of the 






(PPE15).Segregate the activity away 

from other operations E63 

daily; ambient No LEV 5 0 5 13.71 90 1.37 0.07 0.47 0.55 Provide a good standard of general 

temp. 


hour) E40 Wear chemically resistant 



training. PPE16 Ensure material 

transfers are under containment or 

daily; ambient No LEV 5 0 5 6.86 80 1.37 0.07 0.47 0.55 Use dedicated equipment (E85). Clear 

temp. 

transfer lines prior to de-coupling 

(E39). Provide a good standard of 

general ventilation (3 to 5 air changes 

per hour) (E11). Wear suitable gloves 

tested to EN374 (PPE15).Ensure 



daily; elevated With LEV 50 90 5 1.37 80 0.27 0.07 0.09 0.17 Operation is carried out at elevated 

product temp. 


ambient temperature) (OC7). Provide 


emissions occur (E54). Wear suitable 

gloves tested to EN374 (PPE15). Use 

long handled brushes and rollers where 

possible. (E58). Provide a good 

standard of general ventilation (3 to 5 

air changes per hour) (E11)

Industrial -SU3 Rolling, brushing CS13 Daily; >4 hours, product Work areas with extract PROC10 Daily, ambient 

temp ambient 

ventilation 


rolling, brushing indoor 

Comnbine 

Industrial -SU3 Dipping, pouring CS4 Daily; >4 hours, product Work areas with extract PROC13 daily; elevated 


Application by product temp. 


Industrial -SU3 Dipping, pouring CS4 Daily; >4 hours, product Work areas with extract PROC13 Daily, ambient 

temp ambient 

ventilation 


dipping, pouring indoor 



ambient 


gloves 




temp; 



li ) 

Use in road and Professional - Material transfers, e.g. CS8 . Plus Daily; >4 hours, product Product transfer - nondedicated 

systems Discharging temp. 

PROC8a >4 hours, ambient 

construction SU22 charge from drums Nondedicated 



applications 

facility 


(CS82) 

Professional - Material transfers CS8 . Plus Daily; >4 hours, product Product transfer - PROC8b >4 hours, ambient 

SU22 

Dedicated temp (ambient) dedicated systems Dedicated temp. 

facility 


(CS81) 

vessels 

Professional - Rolling, brushing CS13 Daily; >4 hours, product Outdoor PROC10 >4 hours, ambient 

SU22 




combined Professional - Machine application of CS25 Daily; >4 hours, product Enclosed machinery, PROC11 


SU22 bitumen cutbacks Spraying/ temp (ambient); operator remote from Application by temp. 

fogging by outdoors, 50% gasoil spray head, PPE spraying 

machine 

application 

Professional - Machine application of CS25 

PROC11 


SU22 bitumen cutbacks Spraying/ 


vapours 

fogging by 

spraying 

machine 

application 

Professional - Dipping, pouring CS4 Daily; >4 hours, product Outdoor PROC13 


SU22 




Professional - maintenance of CS5 Daily; 1-4 hours, work methods, drain prior PROC8a 1-4 hours, 


ambient 


gloves 



Professional - Storage CS55 Daily; 8 hrs; ambient samples collected at PROC1/2 Closed daily; ambient 

SU22 

temp; 



sampling) 

Functional fluids Industrial - Bulk transfers to/from CS14 Daily; 15 min - 1 hour; Enclosed transfers, clear PROCS1-3 > 4 hours; daily; 

SU10 storage 

ambient temp 

lines prior to decoupling 

ambient temp. 

Industrial - Transfers from drums CS8 Daily; 15 min - 1 hour; Pumped transfer from PROC8b > 4 hours; daily; 

SU10 to filling machinery 

ambient temp 



Industrial - filling articles from CS84, CS107 Daily; >4 hours, ambient enclosed operations, size PROC 9 Transfer > 4 hours; daily; 

SU10 predominantly enclosed 

of openings minimised of chemicals into ambient temp. 

machines 


Industrial - manual filling of CS45 Daily; 1-4 hours, careful pouring, worker PROC8a 1-4 hours, 

SU10 machines 

ambient 

instructions 

Discharging ambient temp. 



Industrial - operation of closed CS15 Daily; >4 hours, ambient None. PROC2 > 4 hours; daily; 


ambient temp. 


Combine in narrative Industrial - operation of open CS16 Daily; >4 hours, ambient Well ventilated area. PROC 4 Use in > 4 hours; daily; 


batch and other ambient temp. 


process 

With LEV 5 30 3.5 Good GV (0.7x) 27.43 95 1.37 0.05 0.47 0.52 Provide a good standard of general 


hour) (E11) Provide extract ventilation 

to points where emissions occur (E54). 



specific activity training. (PPE17). Use 

l h dl d b h d ll h 

Provide extract ventilation points With LEV 5 0 5 13.71 90 1.37 0.07 0.47 0.55 to where emissions occur (E54). Ensure 


maintained and tested E74. Wear 



employee training. PPE16. Use long 

handled tools where possible (E50). 

With LEV 5 0 5 13.71 90 1.37 0.07 0.47 0.55 Provide extract ventilation to points 

where emissions occur (E54). Ensure 


maintained and tested E74. Wear 



employee training. PPE16. Use long 

handled tools where possible (E50). 



PPE16 



No LEV 5 0 5 13.71 90 1.37 0.07 0.47 0.55 Use drum pumps E53 wear gloves 

PPE16 clear spills immediately 

CH&H13. 


where emissions occur E54 handle 


No LEV 5 0 5 27.43 95 1.37 0.07 0.47 0.55 Control emissions by enclosing 

equipment and restricting the area of 

openings (E87) Wear chemically 


combination with specific activity 

training. (PPE17) Use long handled 

brushes and rollers where possible. 

(E58). 

with LEV 20 80 4 2.14 80 0.43 0.06 0.15 0.21 Handle with appropriate extract 

ventilation or equivalent methods to 

control exposure E94 relates to 


Operate activity from way from 

sources of substance emission or 

release E77 

with LEV 100 90 5.95 2.14 90 0.21 0.85 0.07 0.92 Minimise exposure by partial enclosure 

90% signified by E60 : outdoor 


applications 


(0.7x); operator 

E60 wear gloves PPE16 Ensure 


operation is undertaken outdoors E69 


minimise exposures EI19 

No LEV 5 0 5 13.71 90 1.37 0.07 0.47 0.55 Outdoors E69 wear gloves (90%). 

PPE16 Avoid manual contact with wet 

work pieces EI17. 

No LEV 5 80 2.1 SOP on draining 13.71 90 1.37 0.03 0.47 0.50 wear gloves (90%). PPE16 Ensure 


equipment drained prior to 

reduction 

maintenance E65 retain drainings 

ENVT4 

outdoor activity 1 0 1 1.37 0 1.37 0.01 0.47 0.49 Store outside E69 wear gloves PPE15 

No LEV 1 0 1 1.37 0 1.37 0.01 0.47 0.49 No special measures EI18 Enclosed 

transfers, E52 clear lines prior to 

decoupling. E39 Wear gloves (80%) 

PPE15 Ensure material transfers are 

under containment or extract 


No LEV 5 0 5 6.86 80 1.37 0.07 0.47 0.55 Wear gloves (80%). PPE15 Pumped 

transfer.E64 Avoid spillage on pump 

removal C&H16 

With LEV 5 0 5 0.69 0 0.69 0.07 0.24 0.31 Transfer via enclosed lines E52 

Provide good GV E40 wear gloves 

PPE15 

No LEV 5 0 5 13.71 90 1.37 0.07 0.47 0.55 Use drum pumps.E64 Wear gloves 

(90%) PPE16 Avoid spillage on pump 

removal C&H16 train operators EI19 

No LEV 0.5 0 0.5 1.37 0 1.37 0.01 0.47 0.48 No special precautions. EI19 Use in 

enclosed systems and restrict area of 

openings E49 

No LEV 5 0 5 6.86 80 1.37 0.07 0.47 0.55 apply good GV E40 Wear gloves 

(80%).PPE15






process 







process 


vapour phase 

Industrial - Re-work on off CS19 Daily; >4 hours, ambient work methods, drain prior PROC9 - Transfer 1-4 hours, 

SU10 specification articles 

to work, retain spills of chemicals into ambient temp. 




ambient 


gloves 




temp; 



li ) 

Use in Explosive Professional - Bulk transfers from CS14 Daily; 1 - 4 hours; Enclosed transfers, clear PROC3 Closed 1-4 hours, 

manufacture and SU22 road tankers 

ambient temp. lines prior to decoupling batch process (with ambient temp. 

use 

sampling) 

Professional - Charge from drums CS8 Daily; 15 mins - 1 hour; Pumped transfer from PROC8a 1-4 hours, 

SU22 

ambient temp 



Combine in narrative Professional - Mixing / blending CS23, CS108 Daily; 1 - 4 hours; Enclosed or ventilated PROC5 Mixing & 1-4 hours, 

SU22 


blending 

ambient temp. 

Professional - Mixing / blending CS23, CS108 Daily; 1 - 4 hours; Enclosed or ventilated PROC5 Mixing & 1-4 hours, 



blendingg) ambient temp. 

Professional - Mixing / blending CS23, CS107 Daily; 1 - 4 hours; Enclosed or ventilated PROC3 Closed 1-4 hours, 

SU22 (closed system) 


batch process (with ambient temp. 

sampling) 

Professional - Bulk transfers of CS3 Daily; 15 - 1 hour; Enclosed transfers to PROC8b 4 hours; daily; 

SU10 transfers to/from 

ambient temp 

minimise spills 

ambient temp. 

storage e.g. IBCs, big 

bags 

Industrial - In-line weighing of CS91 Daily; 15 min - 1 hour; Enclosed activity PROCs 1, 2 > 4 hours; daily; 


ambient temp 

ambient temp. 

Industrial - small scale weighing of CS90 Daily; 15 min - 1 hour; LEV; minimise spillages; PROC9 1-4 hours, 


ambient temp 


ambient temp. 

Combine in narrative Industrial - small scale mixing of CS92 Daily; 15 min - 1 hour; LEV; minimise spillages; PROCs 3, 4 > 4 hours; daily; 


ambient temp 

ambient temp. 

Industrial - batch pre-mixing of CS92 Daily; 1-4 hours; LEV; minimise spillages; PROC5 1-4 hours, 


ambient temp 

ambient temp. 

Industrial - transfer of additives to CS3 Daily; 15 min - 1 hour; Enclosed activity PROC 8b, 9 1-4 hours, 

SU10 calendars and 

ambient temp 

ambient temp. 

Banburys 

Combine in narrative Industrial - Calendaring activities CS64 Daily; >4 hours, LEV; minimise area/size PROC6 - > 4 hours; daily; 

SU10 (incl banbury) 



operations 

Industrial - Calendaring activities CS64 Daily; >4 hours, LEV; minimise area/size PROC6 - > 4 hours; daily; 




operations 

Industrial - Pressing raw rubber CS73 Daily; 1-4 hours; Good GV PROC 14 - > 4 hours; daily; 

SU10 blanks 

ambient temp 

Production of ambient temp. 


articles by 

tabletting, 

compression, 

extrusion, 

pelletisation 

With LEV 25 90 2.5 0.69 0 0.69 0.04 0.24 0.27 Restrict area of openings and provide 

extract ventilation to emission points 

when substance handled at elevated 

temperatures E75 provide good GV 

E40 

With LEV 20 90 2 0.69 0 0.69 0.03 0.10 0.13 Restrict area of openings and provide 

extract ventilation to emission points 

when substance handled at elevated 

temperatures E75 wear gloves PPE15 

No LEV 5 0 5 6.86 80 1.37 0.07 0.47 0.55 Drain or remove substance from 

equipment prior to break-in or 

maintenance E81 Retain drainings in 

sealed storage pending disposal. 

ENVT4 Wear gloves PPE15 



PPE16 




system E47 Carry out oudoors E69 

Clear lines prior to decoupling. E39 

remote vapour discharge ENVT17 

No LEV 5 0 5 13.71 90 1.371 0.07 0.47 0.55 Wear gloves (90%). PPE16 Use drum 

pumps E53 Outdoors E69 

No LEV 5 0 5 6.86 80 1.372 0.07 0.47 0.55 GV E11 Wear gloves (80%) PPE15 

No LEV 10 30 4.2 general ventn 

4.12 80 0.824 0.60 0.28 0.88 Good GV E11 or Outdoors E69 Wear 

(0.7x):

Industrial - Rubber refreshing CS112 Daily; 1-4 hours; Good GV PROC7 > 4 hours; daily; 

SU10 during article build-up 

ambient temp 

ambient temp. 

Combine in narrative Industrial - Vulcanising (automated CS70 Daily; >4 hours, LEV at emission points; PROC6 - > 4 hours; daily; 





Industrial - Vulcanising (automated CS70 Daily; >4 hours, LEV at emission points; PROC6 - > 4 hours; daily; 



elevated temperature, 


vapours 


SU10 elevated temperature 




SU10 elevated temperature, 


vapours 


Industrial - Cooling of cured CS71 > 4 hours; daily; ambient Extract ventilation/hood PROC6 - > 4 hours; daily; 

SU10 articles (elevated 

temp. 


temperatures) 

operations 

Industrial - production of articles by CS113 > 4 hours; daily; ambient Extract ventilation/hood PROC13 > 4 hours; daily; 

SU10 dipping & pouring 

temp. 

ambient temp. 

Industrial - build up and finishing of CS102 > 4 hours; daily; ambient good ventilation PROC21 > 4 hours; daily; 

SU10 articles (dermal 

temp. 

ambient temp. 

exposures) 

Industrial - Laboratory activities CS36 Daily; 8 hours, ambient 

ambient temp; collection wash down in sealed 

of line waste in container storage pending disposal discharging to/from 




Industrial -SU8 Storage CS67 > 4 hours; daily; ambient good ventilation PROC 1/2 > 4 hours; daily; 

temp. 

ambient temp. 

Water treatment Industrial -SU3 Bulk transfers (e.g. CS14 Continuous; daily; 8hour Enclosed transfers, clear PROC 2 Dedicated daily; ambient 

applications 

from IBCs) 

lines prior to decoupling discharging to/from temp. 

vessels 

Industrial -SU3 Metered charge from CS8 Daily; 15 mins - 1 hour; Pumped transfer from PROC8b 


drums 

ambient temp 

drum 

Discharging temp. 


Industrial -SU3 General process CS15 Batch process; daily; Closed equipment, PROC 3 >4 hours, ambient 

exposures from closed 

ambient temp. enclosed or vented 

temp. 

processes 


Industrial -SU3 General process CS16 Batch process; daily; Closed equipment, PROC4 Closed >4 hours, ambient 

exposures from open 

ambient temp. enclosed or vented batch process (with temp. 

processes 


sampling) 

Industrial -SU3 Manual pouring of CS9 Daily;


Appendix 3.b. Qualitative Risk Characterisation 

Qualitative Risk Characterisation for R20 substances 

A quantitative assessment of short term exposure has not been undertaken as there is a difference of 

at least a factor of 30 between the short term (when expressed over 15 minutes) and the long term 

DNEL (when expressed over 8 hours) DNELs. 


The implementation of relevant RMMs will ensure that the likelihood of an event occurring due to the 

substance hazard of skin irritation is negligible and the risk is considered to be controlled to a level of 

no concern. 

For the skin irritation (R38) hazard a qualitative risk characterisation has been conducted consistent 

with the considerations and risk management measures identified in the Table below. 

Hazard Material Risk / 

Hazard 

Phrase 

Skin 

Irritation 

(R38) 

Liquid R38 / 

H315 

Examples of 

Relevant S 

Phrases and P 

Statements 

S24: Avoid 

contact with 

skin 

Prevention: 

P264: Wash 

... thoroughly 

after 

handling. 

P280: Wear 

protective 

gloves. 

Response: 

P280: Wear 

protective 

gloves/protect 

ive 

clothing/eye 

protection/fac 

e protection. 

P302 + P352: 

IF ON SKIN: 

Wash with 

plenty of soap 

and water. 

P321: 

Specific 

treatment 

(see ... on this 

label). 

P332 + P313: 

If skin 

irritation 

occurs: Get 

medical 

advice/attenti 

Components of the Qualitative Risk 

Assessment 

 

 

 

 

 

 

 

 

Implementation of basic standards of 

occupational hygiene; 

Avoid direct skin contact with product; 

Wear gloves (tested to EN374) if direct hand 

contact with the substance is likely; wash off 

skin contamination immediately; 

Avoid splashes and spills; 

Avoidance of contact with contaminated tools 

and objects; 

Clean up contamination/spills as soon as they 

occur; 

Regular cleaning of equipment and work area; 

Ensure suitable management/supervision is in 

place to check that the RMMs in place are 

being used correctly and OCs followed; 

Train staff on good practice to prevent / 

minimise exposures and to report any skin 

problems that may develop; 

 

 

Adopt good standards of personal skin 

hygiene. 

Where activities may lead to aerosol release 

e.g. spraying, then additional skin protection 

measures such as impervious suits and face 

shields may be required. 



on. 

P362 : Take 

off 

contaminated 

clothing and 

wash before 

re-use 

The outcome of the CSA is displayed within the relevant Exposure Scenarios by the inclusion of the 

general phrase 

E3: Avoid direct skin contact with product. Identify potential areas for indirect skin contact. 

Wear gloves (tested to EN374) if direct hand contact with substance likely. Clean up 

contamination/spills as soon as they occur. Wash off skin contamination immediately. Provide 

basic employee training to prevent / minimise exposures and to report any skin effects that 

may develop. 

Together with (where there is the potential for additional and significant aerosol exposure): 

E4: Other skin protection measures such as impervious suits and face shields may be 

required during high dispersion activities which are likely to lead to substantial aerosol 

release, e.g. spraying. 


The implementation of relevant RMMs will ensure that the likelihood of an event occurring due to the 

aspiration hazard of the substance is negligible and the risk is considered to be controlled to a level of 

no concern. 

For aspiration hazard a qualitative risk characterisation has been conducted consistent with the 

considerations and risk management measures identified in the Table below. 


Hazard 

Phrase 

Aspiration 

Toxicity 

(R65) 

Liquid R65 / 

H304 

Examples of 

Relevant S Phrases 

and P Statements 

Response: 

(S2): Keep out of 

the reach of 

children (for 

dangerous 

products sold to 

the general public 

must include this 

safety phrase) 

S62: If swallowed, 

do not induce 

vomiting: seek 

medical advice 

immediately and 

show this container 

or label 

P102: Keep out of 

reach of children. 

P301 + P310: IF 

SWALLOWED: 

Immediately call a 

POISON CENTER 

or doctor/physician. 

P331: Do NOT 

induce vomiting. 

Storage: 


Assessment 

Worker 

Do not ingest 

Implementation of basic standards of 

occupational hygiene 

Avoid splashes and spills 

Avoidance of contact with 

contaminated tools and objects 

Management/supervision to check that 

the RMMs in place are being used 

correctly and OCs followed 

Training for staff on good practice 

Good standard of personal hygiene 

Consumer 

Do not ingest 

For lamp oils and grill lighters, follow the 

provisions of REACH – Annex XVII, 

including: 

- Marketing in black opaque containers 

not exceeding 1 litre 

- Labelling with specific safe use 

instruction 




Hazard 

Phrase 

Examples of 

Relevant S Phrases 

and P Statements 

P405: Store locked 

up. 

Disposal: 

P501 : Dispose of 

contents/container 

to.... in accordance 

with local/regional/ 

national/internation 

al regulations (to be 

specified) 


Assessment 

For any substance, classified as R65, these risk management measures should be communicated via 

the safety data sheet by use of the following phrase: 

Do not ingest. If swallowed then seek immediate medical assistance. 



Appendix 3.c. 

Consumer Risk Characterisation 


This tool is provided for informational purposes only and may be used at the user's 

own risk. Consequently you should not act, or refrain from acting, based solely on 

the information provided within this tool. This is intended to be a screening tool and 

is not a substitute for and should not be relied upon in place of appropriate technical 

advice, more refined knowledge of consumer exposure information, or common 

sense. 

Gasoils [vacuum] (VP>10Pa) 

DNEL bands 

Saturated 

Substance 

Molecular 

Physical 

Substance 

Gasoils 

Substance 

TRA volatility 

Vapour 

Band1 (very 

Name 

Weight 

5000.0 property liquid 

300000.0 

high 

605474396.8 

Properties: 

(vacuum) 

volatility (Pa): 

range 

Concentration 

low) 

(g/mole) 

(mg/m3) 

Common Thickness 

Density 

Life Cycle 

Parameter Layer (cm) 0.01 (g/cm3) 1.0 Body Weight 60.0 Inhalation Rate 1.4 fraction released to 

Stage / Sector 

Consumer 

Band2 (low) 

Defaults: 

(m3/hr) 

of Use 

(SU21) 

References 

dermal longterm 

systemic 

(mg/cm2) 

dermal local 

oral long-term 

inhalation 

inhalation long-term 

inhalation local 

Values 

10.0 

systemic 

systemic 

systemic (mg/m3) 

61.20 

(mg/m3) 

Band3 (Medium) 

(DNELs): 

(mg/kg/day) 

(mg/kg/day) 

(mg/kg/24 hr day) 

for 24 hr day 

inhalation dermal/ oral 

(mg/m3) (mg/kg/day) 

[0.5, 5) 

[0.1, 1) 

[5, 25) 

[1, 5) 

[25, 100) 

[5, 20) 

Band4 (High) 

>=100 

>=20 

Table 1: Mapping Consumer Uses in the Supply Chain Table 2b: Characterising the Risk - after refinement of exposure estimate 

all all 

dermal dermal dermal dermal oral inhalation inhalation inhalation inhalation inhalation inhalation inhalation 

Relevant Use Sentinel Product sub Category 

Generic Exposure Scenario TIER1 Predicted Exposure - ECETOC TRA based on defaults 

Risk Characterization based on defaults 

TIER1+ ECETOC TRA - exposure modifiers 

Product 

Sentinels 

dermal oral 

inhalation 

TRA Tier 1+ Predicted Exposure - ECETOC TRA - refined estimates 

Local Use 

On Day of Use 

TRA Tier1+ Risk Characterization - refined estimates 

Chronic Considering Yearly Use 

Frequency 

Operation Conditions (OCs) Risk Management Measures (RMMs) 

Risk Characterization - including RMMs 

when needed (substance Specific) 

TRA+ Predicted Exposure - including RMM 

when needed (substance specific) 

Chronic 

Predicted Predicted Oral Predicted Predicted Predicted Total Predicted 

Predicted Predicted Predicted Predicted Predicted Predicted Mean Inhalation Mean Inhalation Mean Inhalation Total RCR dermal RCR RCR systemic RCR systemic RCR systemic RCR systemic RCR systemic 

RMMs for communication - Consolidate into Indicator RCR RCR RCR Predicted Predicted Oral Predicted 

PCS Subcategories PEC PEC PEC DNEL Total RCR DNEL Total RCR DNEL Total RCR DNEL Total RCR 

Dermal Exposure Inhalation Inhalation Inhalation Exposure 

Dermal Dermal Dermal Oral Oral Inhalation Event Concentration Concentration Predicted local (based systemic (24hr TWA (all routes, (dermal, (inhalation, (all routes, 

GES or e-SDS 

for Basis of systemic systemic systemic (all Dermal Exposure Inhalation 

(dermal) (oral) (inhalation) BAND1 

BAND2 

BAND3 

BAND4 

Exposure (mg/kg/d) Exposure Exposure Exposure - upper (mg/kg/d) 

Dilution Factor 

Exposure, Exposure, Exposure, Exposure, Exposure, Exposure, Concentration (24hr TWA) on Yearly (mg/m3) Exposure on mg/cm2) (dermal, inhalation daily) chronic, based yearly, based chronic) 

REACH ADVISED: phrase [RMM code] Exposure (dermal, (inhalation routes) Exposure (mg/kg/d) Exposure 

(mg/kg/d) 

(mg/kg/d) (mg/m 3 ) bounded with SVC 

RCR (all 

Inhalation Factor (fraction Location 

incorporating 

RCR RCR (SVC-upper 

Frequency (events per 

Daily (mg/kg/d) Chronic Local daily Chronic daily (mg/m 3 ) Day of Exposure 

(mg/kg/d) - 

daily, based mg/m3) 

on mg/kg/d)) on mg/m3) 

Recommended: {phrase [RMM code].} Estimate based on based on 

(mg/kg/d) 

(mg/m3) 

Area of 

Short Title 

(mg/m 3 RCR 

routes - sum of Product ingredient (weight fraction) 

Skin surface contact area 

Glove 

of total use (indoors, 

Air Exchange 

) 

RCR (oral) (inhalation bounded 

day): if < 1, only used for 

Use Dilution Factor Dermal Factor 

Amount Used per event (g) 

Room Volume (m3) Exposure time (hours) 

(mg/kg/d) (mg/cm2) (mg/kg/d) (mg/kg/d) (mg/kg/d) 

(mg/m3) 

day of use for 

on mg/kg/d)) 

mg/kg/d)) mg/m3) 

Application / UD 

(dermal) 

mg/kg/day 

(g/g) 

(cm 2 Amount Swallowed (g) 

Air Exchange Rate (1/hr) 

) 

effiency 

spilled/evaporated, i.e., outdoors, 

Rate applied to 

mg/kg/day) inhalation mg/m3) 

chronic assessment 

TRA 

values) 

amount lost) garage) 

TRA for mg/kg 

comparison 

inhalation calc. 

only 

Value Comments Value Comments Value Comments Value Comments Value Comments Value Comments Value Comments Value Comments Value Comments Value Comment Value Comments dayofuse chronic event dayofuse chronic dayofuse event dayofuse chronic 1.3 61.2 1.3 61.2 d i t d o i c c c 


71.5 0 11416.7 125000.0 125000.0 11488 54.97 #DIV/0! #DIV/0! 2042.48 #DIV/0! 1 increased above 0.14 est. as 1 per 210.00 est. as palm of 

TRA default 

week 

one hand 

Liquid - Automotive 

Refuelling 


71.5 0 11416.7 125000.0 125000.0 11488 54.97 #DIV/0! #DIV/0! 2042.48 #DIV/0! 1 increased above 0.33 daily use 210.00 est. as palm of 

TRA default 

assumed 

one hand 

over Winter 

period (4 

months) 

Liquid - Home 

heating oil 


71.5 0 11416.7 125000.0 125000.0 11488 54.97 #DIV/0! #DIV/0! 2042.48 #DIV/0! 1 increased above 0.07 est. as 1 per 

TRA default 

two weeks 




71.5 0 11416.7 125000.0 125000.0 11488 54.97 #DIV/0! #DIV/0! 2042.48 #DIV/0! 1 increased above 0.07 est. as 1 per 420.00 Est. half of each 

TRA default 

two weeks 

hand 


Equipment - Refueling 


37500 est. fuel tank size 50 0.0100 expect low % outdoor 0.60 est. 0.99 100 Stoffenma 0.050 3mins, 97th 3.50 0.50 1.00 0.00 0.00 4.22 3694.31 7.70 1.101 7.72 0.10 2.69 0.13 2.82 0.39 0.02 0.40 Unless otherwise stated, covers concentrations up to 100% [ConsOC1]; No specific RMMs developed beyong those Based upon 0.39 0.02 0.40 0.50 0.00 1.10 PC13:Fuels 

0.50 0.00 1.10 0.00 0.00 0.00 0.00 

of no >10% 


loss during 

conservative 

nager 

percentile- 


infrequent 




value for 

volume 

Vainiotalo et 


use (10% 


loss during typical 

general fact 

default 

as shorter 


infrequent 




sheet 

than vehicle 


use (10% 

based upon density 

loss during 

conservative 

nager 

per day 


daily use 



equipment use 

value for 

volume 

day of use[ConsOC4]; for each use event, covers use amounts up to 

contaminated 

kg/m3. 

outdoor 

used for 

750g [ConsOC2]; covers outdoor use [ConsOC12]; covers use in room 

pump handle to 

outdoors 

size of 100m3[ConsOC11]; for each use event, covers exposure up to 





750 1 L: Conv from L to g 0.0300 expect low % garage 1.50 RIVM 0.98 34 RIVM 0.030 Est. 2mins 7.00 0.49 1.00 0.00 0.00 0.44 647.10 0.81 0.057 7.44 0.10 5.38 0.01 5.40 0.38 0.00 0.38 Unless otherwise stated, covers concentrations up to 100% [ConsOC1]; No specific RMMs developed beyong those Based upon 0.38 0.00 0.38 0.49 0.00 0.06 PC13:Fuels 

0.49 0.00 0.06 0.00 0.00 0.00 0.00 

of no >10% 

based upon density loss but may be 

general fact 

general 


infrequent 



more from pouring 

sheet 

fact sheet 


use (


APPENDIX 4: An Evaluation of the Persistence, 

Bioaccumulation and Toxicity of Petroleum 

Hydrocarbons 


An Evaluation of the Persistence, Bioaccumulation and 

Toxicity 

of Petroleum Hydrocarbons 

Report Prepared for CONCAWE 

Brussels, Belgium 

by 

Mark Lampi a , Miriam Léon Paumen b , Tom Parkerton a 

a ExxonMobil Biomedical Sciences, Inc., Annandale NJ, USA 

b ExxonMobil Petroleum and Chemical, Machelen, Belgium 

March 2010

Executive Summary 

In order to comply with the European Union’s Registration, Evaluation and Authorisation 

of Chemicals (REACH) legislation requirements to perform a persistence, 

bioaccumulation and toxicity (PBT) assessment on complex petroleum substances, a 

systematic review of the persistence and bioaccumulation properties of petroleum 

hydrocarbons was conducted. Those substances deemed potentially to meet the 

persistence and bioaccumulation criteria were subsequently assessed for toxicity. 

Consistent with REACH technical guidance and Annex XIII criteria, petroleum 

hydrocarbons were evaluated using the hydrocarbon block method. Measured data and 

model predictions were evaluated for representative structures associated with each block 

to develop an evidence-based conclusion regarding PBT properties. 

The results of this analysis indicate that higher carbon number blocks tend to fulfill the 

persistence criterion while lighter carbon number blocks sometimes met the 

bioaccumulative criterion. None of the hydrocarbon blocks were found to meet the very 

bioaccumulative criterion. Selected hydrocarbon blocks, namely C16-C18 di-naphthenic 

hydrocarbons and C16-C22 poly-naphthenic hydrocarbons were found potentially to 

fulfill persistence and bioaccumulation criteria. However, these blocks will not fulfill the 

toxicity criteria as they are not soluble enough to pose a chronic aquatic hazard and do 

not exhibit health hazard classifications. Therefore, this analysis shows that none of the 

hydrocarbon blocks that comprise complex petroleum substances meet the vPvB/PBT 

criteria. As part of the TC-NES WG on PBTs, two unique hydrocarbons, namely 

anthracene and o-terphenyl, were found to present a PBT concern. However, these 

individual substances are not expected to be present in petroleum substances in sufficient 

quantity to impact PBT decision-making. 

ii

Table of Contents 

Executive Summary ............................................................................................................ ii 

Table of Contents ............................................................................................................... iii 

1.0 Introduction ................................................................................................................... 4 

2.0 Outline of Assessment Approach for Complex Petroleum Substances ........................ 5 

3.0 Persistence Assessment of Petroleum Hydrocarbon Blocks ......................................... 7 

3.1 Normal Paraffins ....................................................................................................... 7 

3.2 Iso-paraffins .............................................................................................................. 9 

3.3 Mono-Naphthenic hydrocarbons ............................................................................ 12 

3.4 Di-Naphthenic hydrocarbons .................................................................................. 14 

3.5 Poly-Naphthenic hydrocarbons ............................................................................... 16 

3.6 Mono-Aromatics ..................................................................................................... 18 

3.7 Naphthenic Mono-Aromatics.................................................................................. 20 

3.8 Di-Aromatics........................................................................................................... 22 

3.9 Naphthenic Di-Aromatics ....................................................................................... 24 

3.10 Poly-Aromatics ..................................................................................................... 25 

4.0 Bioaccumulation Assessment of Petroleum Hydrocarbon Blocks ............................. 28 

4.1 Normal Paraffins ..................................................................................................... 30 

4.2 Iso-paraffins ............................................................................................................ 32 

4.3 Mono-Naphthenic hydrocarbons ............................................................................ 36 

4.4 Di-Naphthenic hydrocarbons .................................................................................. 38 

4.5 Poly-Naphthenic hydrocarbons ............................................................................... 41 

4.6 Mono-Aromatics ..................................................................................................... 43 

4.7 Naphthenic Mono-Aromatics.................................................................................. 46 

4.8 Di-Aromatics........................................................................................................... 48 

4.9 Naphthenic Di-Aromatics ....................................................................................... 52 

4.10 Poly-Aromatics ..................................................................................................... 55 

5.0 Summary of Persistence and Bioaccumulation Assessment ....................................... 63 

6.0 Toxicity Assessment of HBs meeting P and B criteria ............................................... 64 

7.0 Conclusions ................................................................................................................. 60 

8.0 References ................................................................................................................... 61 

9.0 Appendices...................................................................................................................65 

iii

1.0 Introduction 

REACH requires that a PBT/vPvB assessment be performed for all substances for which 

a Chemical Safety Assessment (CSA) must be conducted. This generally translates to all 

substances manufactured or imported in amounts above 10 tonnes per year that are not 

exempted from registration. The objective of the PBT/vPvB assessment is to determine in 

a stepwise manner if a substance fulfils the criteria specified in Annex XIII of the 

regulation. This document describes the rationale and data used to complete this 

assessment for complex petroleum substances comprised of hydrocarbons. For complex 

substances, this assessment must be applied to all constituents that are present at greater 

than 0.1% (EU 2006). 

Due to the complex nature and variability in composition, most petroleum substances are 

UVCBs (Substances of Unknown or Variable composition, Complex reaction products or 

Biological materials). These substances are composed of a mixture of many unique 

hydrocarbons that each exhibit different properties relevant to environmental assessment. 

Current risk assessment methods that have been developed for substances with unique 

properties are not directly applicable to complex petroleum substances. To address this 

gap, CONCAWE developed the hydrocarbon block (HCB) method as a framework to 

perform the environmental assessment for complex petroleum substances. The HCB 

method has been incorporated in the REACH endpoint specific guidance (c.f. Appendix 

to section R.7.13), and will be applied to fulfill the requirements of the REACH 

regulation (ECHA 2008a). The HCB method resolves complex petroleum substances into 

pseudo-components (‘blocks’) that are defined by representative hydrocarbon structures 

that exhibit similar physical and chemical properties. The representative structures have 

been chosen to cover the degree of complexity that is typically found in petroleum 

substances as summarised in the “CONCAWE library” (Appendix 1). However, some of 

the representative structures were selected based on availability of the compound, rather 

than whether completely representative of typical petroleum hydrocarbons. This is the 

case for several of the more conservative structures (e.g. highly branched). For the 

purpose of this PBT assessment, all of the available data is presented. However, select 

structures were not used to assess the PBT properties of a particular hydrocarbon block 

(e.g. anthracene, o-terphenyl). 

4

2.0 Outline of PBT/vPvB Assessment Approach for Complex 

Petroleum Substances 

The Persistence, Bioaccumulation and Toxicity (PBT/vPvB) assessment for petroleum 

substances is also performed by applying HCB principles. Due to limited solubility and 

variable biodegradability of these complex mixtures, petroleum substances will often not 

meet the stringent pass criteria for ready biodegradability. Thus, based on an initial 

screening assessment, most petroleum substances should be regarded as persistent and 

hence, further evaluation is required to determine if they meet REACH Annex XIII vPvB 

or PBT criteria. To accomplish this objective, the P and B properties of representative 

structures for a given HCB are assessed, in order to develop a weight of evidence for 

deciding if vPvB or PB criteria are or are not fulfilled. This approach is consistent with 

the strategy discussed in REACH guidance Chapter R11 for PBT assessment of complex 

substances (ECHA 2008b). 

PBT/vPvB properties of representative structures have been evaluated using the 

following HCB scheme: 

C# n-P i-P MN DiN PolyN MoAr NMAr DiAr NDiAr PolyAr 

5 ` 

6 

7 

8 

9 

10 

… 

Where the abbreviations at the top of each row denote the ten main hydrocarbon classes 

that are found in petroleum products: 

n-P = normal-paraffins (straight chain alkanes) 

i-P = iso-paraffins (branched chain alkanes) 

Mo-N = mono-naphthenic hydrocarbons consisting of saturated one ring cyclic alkanes 

DiN = di-naphthenic hydrocarbons consisting of saturated two ring cyclic alkanes 

PolyN = poly-naphthenic hydrocarbons consisting of saturated three or more ring cyclic 

alkanes 

MoAr = mono-aromatics consisting of one ring aromatics 

NMAr = naphthenic-mono-aromatics consisting of one ring aromatics with one or more 

saturated rings 

DiAr = di-aromatics consisting of two ring aromatics 

NDiAr = naphthenic-di-aromatics consisting of two ring aromatics with one or more 


5

PolyAr = poly-aromatics consisting of three or more ring aromatics that may include 


Note that for certain HCBs, none of the possible structures may exist, e.g. there are no C5 

aromatics. 

The strategy to assess PBT/vPvB properties of HCBs consists of the following steps: 

QSAR models are applied to compute predictions of primary biodegradation halflives 

(P) and fish bioconcentration factors (B) for the CONCAWE library of 

representative structures (Appendix 1) as recommended by the REACH PBT 

guidance (R.11). Two modules from EPISuite v4.00 were used to screen for 

persistence and bioaccumulative properties, BioHCwin and BCFBAF. 

Where available for hydrocarbons, experimental primary biodegradation half-lives in 

un-acclimated freshwater or marine water as well as aqueous or dietary 

bioaccumulation test data are compiled and compared to model predictions. In 

addition, other relevant lab and field bioaccumulation studies are also considered to 

assess the potential of petroleum hydrocarbons to biomagnify in the foodchain. This 

information is an important compliment to bioconcentration data since 

biomagnification is regarded as the principal determinant for identifying substances 

posing a bioaccumulation concern (Weisbrod et al. 2009). 

In some cases, experimental data for hydrocarbons that have atypical structures (e.g. 

ethanediyl or isopropyl functional groups) are included in this analysis. This allows a 

more through appraisal of the reasonableness of model predictions based on available 

experimental information. However, such data are interpreted with caution, and 

judged relative to the weight of evidence provided by more typical structures, in 

deciding P and B properties of specific HCBs. 

Finally, all the available information on persistence and bioaccumulation are 

collectively reviewed to determine if a further assessment of toxicity was required. If 

a HCB was found to meet the P and B criteria, toxicity was evaluated in accordance 

with Annex XIII criteria. If necessary, the chronic aquatic toxicity for the structures 

comprising the HCB was computed using the target lipid model included in the 

PETROTOX model (Redman 2009). 

6

3.0 Persistence Assessment of Petroleum Hydrocarbon Blocks 

Hydrocarbons have been present in the environment for billions of years. As a highly 

reduced form of carbon, these substances provide a valuable source of energy for 

consumption by microorganisms. Therefore, mechanisms have evolved to degrade 

hydrocarbons, and nearly all hydrocarbons can be degraded under appropriate conditions 

(Prince and Walters, 2007). 

In order to assess the persistence of the different HCBs, aquatic half-life predictions for 

representative constituents were made using the BioHCwin module of the EPISuite v4.0 

model. Unacclimated, marine and freshwater experimental biodegradation half-lives from 

three different sources (Prince et al. 2007, 2008; EMBSI, 2009a, b and c) were compiled 

and compared to model predictions. According to previous work (Prince et al. 2007) halflives 

for different classes of hydrocarbons do not differ significantly between marine and 

freshwater. Thus, half-life data from both media have been used collectively in the 

persistence assessment. 

Results of standardized biodegradation experiments may vary significantly depending on 

the microbial inoculum that is used. Further, in experiments with hydrocarbon mixtures, 

observed biodegradation rates can be influenced by a lag phase that is due to the presence 

of other hydrocarbons that are preferentially biodegraded. Consequently, if more than 

one reliable half-life value was available for the structure the lowest half-life for the 

structure was selected as proof the structure has the potential to biodegrade under unacclimated 

test conditions. Persistence of the HCBs was assessed comparing predicted 

and experimental half-lives for the corresponding representative structures to the 60-day 

criterion for marine water persistence specified in Annex XIII of the REACH regulation. 

In the following sections, the results of the persistence assessment will be discussed. 

3.1 Normal Paraffins 

The BioHCwin model predicts that n-paraffins with chain lengths above twenty-two 

carbons will have half-lives exceeding the 60-day persistence criterion (Figure 1). 

However, marine and freshwater experimental half-lives for n-paraffins with carbon 

chain lengths up to 19 carbons (Table 1) range from 1.9 to 15 days. For the carbon 

numbers for which experimental persistence data are available, predicted and 

experimental data are below the persistence criterion (Figure 2). In several cases, there 

are data for multiple hydrocarbons with the same number of carbons. In fact, 

experimental values are far below the persistence criterion, meaning that model 

predictions are conservative. Moreover, n-paraffins larger than hexane are known to be 

the preferred substrate in oil degradation processes (Prince and Walters, 2007). This is 

reflected by the higher experimental half-lives of the shorter chain paraffins (Table 1). It 

can be concluded that, based on the BioHCwin predictions, n-paraffins at or above C22 

may have half-lives above the persistence criterion. 

7

ioHCwin half-life (days) 

1000.0 

100.0 

60 d half-life 

10.0 

1.0 

0 5 10 15 20 25 30 35 40 

Carbon number 

Figure 1. Half-life predictions for n-paraffins using the US EPA model BioHCwin 

Hydrocarbon 

C nr 

BioHCwin 

Predicted 

Half-Life 

(days) 

Measured 

Seawater 

Half-Life 

(days) 

Measured 

Freshwater 

Half-Life 

(days) 

n-butane 4 3.5 15.0 

n-pentane 5 4.0 10.5 10.7 

n-hexane 6 4.7 3.5 6.3 

n-hexane 6 4.7 6.5 

n-heptane 7 5.5 3.5 2.3 

n-octane 8 6.4 2.1 

n-nonane 9 7.4 2.1 2.1 

n-decane 10 8.7 2.1 

n-undecane 11 10.1 2.1 

n-dodecane 12 11.8 2.1 1.9 

n-tridecane 13 13.7 2.3 

n-tetradecane 14 16.0 2.3 

n-pentadecane 15 18.6 2.4 

n-hexadecane 16 21.7 4.60 2.5 

n-heptadecane 17 25.3 2.3 

n-octadecane 18 29.4 2.5 

n-nonadecane 19 34.3 2.8 

Table 1. Predicted and experimental marine and freshwater half-life values for n-paraffins 

8

100.0 

Half-life predicted (days) 

10.0 

Freshwater 

P criterion 

Marine Water 

1.0 

1.0 10.0 100.0 

Half-life observed (days) 

Figure 2. BioHCwin (Y-axis) vs. experimental half-lives (X-axis) for n-paraffins 

3.2 Iso-paraffins 

Degradation of iso-paraffins is influenced negatively by increased branching of the 

molecule, because complex branching hinders the initial oxidation and the subsequent 

lipid catabolism of the hydrocarbon molecules (Prince and Walters 2007). Accordingly, 

the BioHCwin model predicts a half-life above 60 days for 2,2,4,4,6,8,8- 

heptamethylnonane, a highly branched C16 structure (Figure 3). For less branched 

structures, BioHCwin predicts half-lives above 60 days for structures above C21. The 

only experimental half-life above 60 days is the value for the extremely branched C16 

structure, 2,2,4,4,6,8,8-heptamethylnonane, confirming the model prediction (Table 2). 

Adjacent quaternary carbons (e.g. pentamethylheptane) are not characteristic of 

petroleum hydrocarbons (Quann and Jaffe 1992; Sarpal et al. 1997; Quann 1998); results 

for this compound may overstate the persistence for this HCB. Experimental half-lives 

for iso-paraffins are available for carbon chains up to C20, and are all below the 

persistence criterion. The experimental half-life for the C20 structure is 28 days, meaning 

that half-life predictions for iso-paraffins above C21 may be over-estimated. 

For carbon numbers for which persistence data are available, predicted and experimental 

data are consistent. For structures up to C20, half-lives are below the persistence 

criterion with the exception of the structure mentioned above (Figure 4). In several cases, 

there are data for multiple hydrocarbons with the same number of carbons. It can be 

concluded that, based on the available data, iso-paraffins at or above C21 may have halflives 

above the persistence criterion. 

9


1000.0 

100.0 

10.0 


1.0 

0 5 10 15 20 25 30 35 40 

Carbon number 

Figure 3. Half-life predictions for iso-paraffins using the US EPA model BioHCwin 

Hydrocarbon 

C nr 

BioHCwin 

Predicted 

Half-Life 

(days) 

Measured 

Seawater 

Half-Life 

(days) 

Measured 

Freshwater 

Half-Life 

(days) 

isobutane 4 3.1 17.1 

2-methylbutane 5 3.6 13.0 

2,2-dimethylbutane 6 7.0 26.5 

2-methylpentane 6 4.2 10.4 

3-methylpentane 6 4.2 10.1 

2,2,3-trimethylbutane 7 9.4 13.0 

2,2-dimethylpentane 7 8.1 13.0 



2-methylhexane 7 4.9 6.6 


3-methylhexane 7 4.9 7.5 

2,2,3-trimethylpentane 8 10.9 13.0 




2,3-dimethylhexane 8 6.6 7.5 



2-methylheptane 8 5.7 4.8 

3-ethylhexane 8 5.7 8.1 



2,2,5-trimemethylhexane 9 12.7 8.1 

10

2,3-dimethylheptane 9 7.7 6.2 7.4 

2,5-dimethylheptane 9 7.7 6.5 



3-ethylheptane 9 6.6 3.1 

3-methyloctane 9 6.6 4.3 



2,2,4-trimethylheptane 10 14.8 6.5 

2,2,5,5-tetramethylhexane 10 24.6 7.4 

2,2,dimethyloctane 10 12.9 6.6 

2,3-dimethyloctane 10 8.9 3.9 


2,6-dimethyloctane 10 8.9 3.8 4.1 


2-methyl-3-ethylheptane 10 6.6 19.9 

2-methylnonane 10 7.7 2.1 



3-ethyloctane 10 7.7 6.0 


4-ethyloctane 10 7.7 4.6 


4-propylheptane 10 7.7 5.1 


2,5-dimethylnonane 11 9.0 3.9 

2,6-dimethylnonane 11 10.4 5.5 

2-methyldecane 11 9.0 3.5 2.1 

3-ethyl-nonane 11 9.0 2.9 4.0 

3-methyldecane 11 9.0 2.1 



2,3-dimethyldecane 12 12.1 3.8 

2,6-dimethyldecane 12 12.1 2.8 3.3 

2-methylundecane 12 10.5 2.1 




2,2,3-trimethyldecane 13 23.4 1.9 6.2 

2,6-dimethylundecane 13 14.1 2.3 

11

4-methyldodecane 13 12.2 3.3 6.7 

2,6,10-trimethyldodecane 15 22.0 3.5 

2,2,4,4,6,8,8-heptamethyl nonane 16 135.4 60 

2,6,10,14-tetramethyl hexadecane 

(pristane) 

20 54.5 21.0 4.3 

2,6,10,14-tetramethylhexadecane 

(phytane) 

20 54.5 28.0 

Table 2. Predicted and experimental marine and freshwater half-life values for isoparaffins 

(in bold, structure names for which BioHCwin predicts half-lives above 60 

days; rows in orange show experimental values above 60 days) 


1000.0 

100.0 

10.0 

Freshwater 

P criterion 

Marine Water 

1.0 

1.0 10.0 100.0 


Figure 4. BioHCwin (Y-axis) vs. experimental half-lives (X-axis) for iso-paraffins 

3.3 Mono-Naphthenic Hydrocarbons 

The BioHCwin model predicts half-lives above 60 days for mono-naphthenic 

hydrocarbons above C19 (Figure 5). Marine and freshwater experimental half-lives for 

mono-naphthenic hydrocarbons up to C18 range from 1.7 to 55.9 days (Table 3). The 

highest half-life, which is still well below the persistence criterion, was found for a C10 

structure, cis-1,1,3,5-tetramethylcyclohexane, which is the most branched structure in the 

experimental dataset. In several cases, there are data for multiple hydrocarbons with the 

same number of carbons. 

For carbon numbers for which persistence data are available, predicted and experimental 

data are consistent, and all values up to C18 are below the persistence criterion (Figure 

6). It can be concluded that, based on the available data, mono-naphthenic hydrocarbons 

at or above C19 may have half-lives above the persistence criterion. 

12


10000.0 

1000.0 

100.0 

10.0 

1.0 

0 5 10 15 20 25 30 35 40 

Carbon number 


Figure 5. Half-life predictions for mono-naphthenic hydrocarbons using the US EPA 

model BioHCwin 

Hydrocarbon 

C nr 

BioHCwin 

Predicted 

Half-Life 

(days) 

Measured 

Seawater 

Half-Life 

(days) 

Measured 

Freshwater 

Half-Life 

(days) 

cyclopentane 5 45.1 6.0 9.1 

cyclohexane 6 55.4 4.3 8.2 

methylcyclopentane 6 6.0 3.9 8.1 

1,1-dimethylcyclopentane 7 21.2 8.6 7.4 

cis-1,3-dimethylcyclopentane 7 4.1 8.3 

ethylcyclopentane 7 6.9 6.5 

methylcyclohexane 7 7.3 3.8 7.4 

trans-1,2-dimethylcyclopentane 7 4.1 10.4 

trans-1,3-dimethylcyclopentane 7 4.1 8.0 

1,1-dimethylcyclohexane 8 26.0 10.4 

cis-1,2-dimethylcyclohexane 8 5.1 7.9 

cis-1,3-dimethylcyclohexane 8 5.1 8.1 

ethylcyclohexane 8 8.5 6.5 

trans-1,2-dimethylcyclohexane 8 5.1 8.1 

trans-1,3-dimethylcyclohexane 8 5.1 7.7 

1,1,3-trimethylcyclohexane 9 18.0 8.5 

1,3,5-trimethylcyclohexane 9 3.5 8.0 30.4 

bicyclo[4.3.0]nonane 9 55.9 4.9 18.9 

n-propylcyclohexane 9 9.9 5.5 

butylcyclohexane 10 11.6 2.6 

cis-1,1,3,5-tetramethylcyclohexane 10 12.5 20.1 36.1 

iso-butylcyclohexane 10 13.3 6.3 7.4 

pentylcyclohexane 11 13.5 2.1 

1-isobutyl 2,5 12 6.4 2.8 12.9 

13

dimethylcyclohexane 

hexylcyclohexane 12 15.7 1.7 1.3 

n-heptylcyclohexane 13 18.3 3.7 2.7 

n-octylcyclohexane 14 21.3 2.2 3.0 

nonylcyclohexane 15 24.8 2.8 

decylcyclohexane 16 28.9 3.4 

undecylcyclohexane 17 33.7 3.1 

dodecylcyclohexane 18 39.3 3.3 

Table 3. Predicted and experimental marine and freshwater half-life values for mononaphthenic 

hydrocarbons 

100.0 


10.0 

1.0 

1.0 10.0 100.0 


Freshwater 

P criterion 

Marine Water 

Figure 6. BioHCwin vs. experimental half-lives for mono-naphthenic hydrocarbons 

3.4 Di-Naphthenic hydrocarbons 

The BioHCwin model predicts half-lives above 60 days for some di-naphthenic structures 

above C12 (Figure 7). Marine and freshwater experimental half-lives for di-naphthenic 

hydrocarbons are available up to C16, and range from 7.9 to greater than 191 days (Table 

4). In several cases, there are data for multiple hydrocarbons with the same number of 

carbons. Structures up to C14 have half-lives below 60 days; the half-life for 2,7- 

diisopropyldecalin (C16) is above the persistence criterion. This half-life value is much 

higher than values for single isopropyl-branched decalins, showing again the influence of 

increased branching on persistence results (Prince and Walters 2007). 

In Figure 8, predicted and experimental data are shown. The plot shows that predicted 

half-lives are often higher that experimental values. While no experimental half-life data 

are available for C15 di-naphthenic hydrocarbons, read across to C15 poly-naphthenic 

hydrocarbons (see section 3.5) indicates these structures would not fulfill the persistence 

14

criterion. It can be concluded that, based on the conservative use of experimental results 

for diisopropyldecalin, some di-naphthenic structures at or above C16 may have halflives 

above the persistence criterion. 

10000.0 

bioHCwin half-life (days) 

1000.0 

100.0 


10.0 

1.0 

0 5 10 15 20 25 30 35 40 

Carbon number 

Figure 7. Half-life predictions for di-naphthenic hydrocarbons using the US EPA model 

BioHCwin 

BioHCwin 

Predicted 

Half-Life 

(days) 

Measured 

Seawater 

Half-Life 

(days) 

Measured 

Freshwater 

Half-Life 

(days) 

Hydrocarbon 

C nr 

decahydronaphthalene 

(decalin) 

10 68.6 66.0 

2,6-dimethyldecalin 12 33.1 10.0 

bicyclohexyl 12 27.0 15.0 7.9 

2,3,6-trimethyldecalin 13 23.0 33 

2-isopropyldecalin 13 74.4 20 

n-propyldecalin 13 64.6 20 

1, 4, 6, 7- tetramethyldecalin 14 15.9 22 

2,7-diisopropyldecalin 16 80.8 >191.0 

Table 4. Predicted and experimental marine and freshwater half-life values for dinaphthenic 

hydrocarbons (in bold, structure names for which BioHCwin predicts halflives 

above 60 days; rows in orange show experimental values above 60 days) 

15

100.0 


10.0 

Freshwater 

P criterion 

Marine Water 

1.0 

1.0 10.0 100.0 


Figure 8. BioHCwin (Y-axis) vs. experimental half-lives (X-axis) for di-naphthenic 

hydrocarbons 

3.5 Poly-Naphthenic hydrocarbons 

The BioHCwin model predicts that half-lives for poly-naphthenic hydrocarbons above 

C13 will be higher than 60 days (Figure 9). Experimental marine degradation half-lives 

for poly-naphthenic hydrocarbons up to C19 range from 6.1 to greater than 191 days 

(Table 5). In several cases, there are data for multiple hydrocarbons with the same 

number of carbons. Up to C15 and for some C18 and C19 structures half-lives are below 

the persistence criterion. However, some C16 and C18 structures have experimental halflives 

clearly exceeding the persistence criterion although BioHCwin predictions for 

structures with experimental half-lives above 60 days are in many cases overly 

conservative (Table 5, Figure 10). It can be concluded that for poly-naphthenic 

hydrocarbons at or above C16, some structures will exhibit half-lives above the 

persistence criterion. 

16


100000.0 

10000.0 

1000.0 

100.0 

10.0 

1.0 

0 5 10 15 20 25 30 35 40 

Carbon number 


Figure 9. Half-life predictions for poly-naphthenic hydrocarbons using the US EPA 


Hydrocarbon 

C nr 

BioHCwin 

Predicted 

Half-Life 

(days) 

Measured 

Seawater 

Half-Life 

(days) 

perhydro-1-methyl-fluorene 14 117.0 46 

perhydrophenanthrene 14 117.0 32 

perhydro-2-methylanthracene 15 143.0 33 

perhydrodimethylphenanthrene 15 174.8 51 

hexadecahydropyrene 16 450.7 >191.0 

1-methyl-7-(1methylethyl)-hydrophenanthrene 18 155.2 >191.0 

perhydro-chrysene 18 678.3 117.0 

perhydro-terphenyl (tricyclohexyl) 18 69.4 6.1 

-androstane 19 619.0 34.0 

Table 5. Predicted and experimental marine and freshwater half-life values for polynaphthenic 

hydrocarbons (in bold, structure names for which BioHCwin predicts halflives 


17

1000.0 


100.0 

10.0 

Freshwater 

P criterion 

Marine Water 

1.0 

1.0 10.0 100.0 


Figure 10. BioHCwin (Y-axis) vs. experimental half-lives (X-axis) for poly-naphthenic 

hydrocarbons 

3.6 Mono-Aromatics 

The BioHCwin model predicts that half-lives for mono-aromatics above C22 will be 

higher than 60 days (Figure 11). Experimental freshwater and marine half-lives for 

mono-aromatics up to C18 range from 1.7 to above 182 days (Table 6). In several cases, 

there are data for multiple hydrocarbons with the same number of carbons. Most of the 

mono-aromatic hydrocarbons across the whole range of carbon chain lengths have halflives 

below 5 days, but there is one exception in the dataset with half-life of 50 days: 1,1'- 

(1,1,2,2-tetramethyl-1,2-ethanediyl)bis-benzene (Table 6, Figure 12). While 

experimental half-life data are available for this compound, this is not a typical structure 

found in petroleum substances. Although the BioHCwin model may be overly 

conservative, it can be concluded that mono-aromatics at or above C22 may have halflives 

above 60 days. 


1000.0 

100.0 

10.0 

1.0 

0 5 10 15 20 25 30 35 40 

Carbon number 


Figure 11. Half-life predictions for mono-aromatic hydrocarbons using the US EPA 


18

Hydrocarbon 

C nr 

BioHCwin 

Predicted 

Half-Life 

(days) 

Measured 

Seawater 

Half-Life 

(days) 

Measured 

Freshwater 

Half-Life 

(days) 

benzene 6 4.6 2.1 2.1 

toluene 7 4.5 2.1 2.3 

ethylbenzene 8 5.0 2.1 2.8 

m-xylene 8 4.4 2.1 2.3 

o-xylene 8 4.4 2.1 2.2 

p-xylene 8 4.4 2.1 2.3 

1,2,3-trimethylbenzene 9 4.4 3.2 

1,2,4-trimethylbenzene 9 4.4 3.2 

1,3,5 trimethylbenzene 9 4.4 2.1 3.2 

1-ethyl-2-methylbenzene 9 4.9 3.2 


isopropylbenzene 9 10.6 3.2 

propylbenzene 9 5.8 3.2 

(1-methylpropyl)benzene 10 12.4 3.2 

(2-methylpropyl)benzene 10 7.8 3.2 

1,2,3,4 tetramethylbenzene 10 4.3 2.8 2.2 

1,2-diethylbenzene 10 5.4 2.8 

1,2-dimethyl-4-ethylbenzene 10 4.9 3.2 

1,4-diethylbenzene 10 5.4 2.1 

1-ethyl-2,4-dimethyl-benzene 10 4.9 3.2 

1-ethyl-3,5-dimethylbenzene 10 4.9 1.8 

1-methyl-2-(1-methylethyl)benzene 10 10.5 3.6 

1-methyl-2-propylbenzene 10 5.7 2.0 







1,3-dimethyl-5-(1-methylethyl)benzene 11 10.4 3.2 


n-octyl benzene 14 12.4 13.0 

butylbenzene 10 12.4 2.3 

1,3,5-tris(1-methylethyl)-benzene 15 58.3 54.0 

decylbenzene 16 16.9 3.0 

1,1'-(1,1,2,2-tetramethyl-1,2- 

ethanediyl)bis-benzene 

18 50.5 >182.0 

Table 6. Predicted and experimental marine and freshwater half-life values for monoaromatic 

hydrocarbons 

19

100.0 


10.0 

Freshwater 

P criterium 

Marine Water 

1.0 

1.0 10.0 100.0 


Figure 12. BioHCwin (Y-axis) vs. experimental half-lives (X-axis) for mono-aromatic 

hydrocarbons 

3.7 Naphthenic Mono-Aromatics 

The BioHCwin model predicts that half-lives for naphthenic mono-aromatic 

hydrocarbons above C14 will be higher than 60 days (Figure 13). In several cases, there 

are data for multiple hydrocarbons with the same number of carbons. Half-life 

predictions for three-ring and higher hydrogenated polycyclic aromatic hydrocarbons 

significantly exceed the persistence criterion. However, experimental freshwater and 

marine half-lives for naphthenic mono-aromatics up to C18 range from 1.9 to 38 days 

(Table 7), showing that the BioHCwin model predictions are again overly conservative 

(Figure 14). Based on the available data it can be concluded that some naphthenic monoaromatic 

structures at or above C19 may have half-lives above 60 days. 

20


1000000.0 

100000.0 

10000.0 

1000.0 

100.0 

10.0 

1.0 

0 5 10 15 20 25 30 35 40 

Carbon number 


Figure 13. Half-life predictions for naphthenic mono-aromatic hydrocarbons using the 

US EPA model BioHCwin 

Hydrocarbon 

C nr 

BioHCwin 

Predicted 

Half-Life 

(days) 

Measured 

Seawater 

Half-Life 

(days) 

Measured 

Freshwater 

Half-Life 

(days) 

indane 9 2.9 3.2 

indane (residuum trimethylalkane) 9 2.9 2.2 2.8 

1,2,3,4-tetrahydronaphthalene (tetralin) 10 1.5 2.0 2.4 

1-methylindane 10 6.2 3.2 



tetralin 10 1.5 3.2 

2-methyltetralin 11 1.0 3.9 



1,2,3,4-tetrahydro-1-4- 

dimethylnaphthalene 

12 6.7 6.0 8.2 

1,1,6- trimethyl tetralin 13 2.9 3.1 3.0 

1,2,3,4,5,6,7,8-octahydrophenanthrene 14 203.6 3.9 

2-hexyltetralin 16 3.0 1.9 

dehydroabietine 17 892.9 38.0 

3- phenyl-bicyclohexyl 18 118.6 23.0 

Table 7. Predicted and experimental marine and freshwater half-life values for naphthenic 

mono-aromatic hydrocarbons (in bold, structure names for which BioHCwin predicts 

half-lives above 60 days) 

21

1000.0 


100.0 

10.0 

Freshwater 

P criterion 

Marine Water 

1.0 

1.0 10.0 100.0 


Figure 14. BioHCwin (Y-axis) vs. experimental half-lives (X-axis) for naphthenic monoaromatic 

hydrocarbons 

3.8 Di-Aromatics 

The BioHCwin model predicts that half-lives for di-aromatic hydrocarbons above C15 

will be above 60 days (Figure 15). Experimental freshwater and marine half-lives for diaromatics 

up to C18 range from 2.1 to 122 days (Table 8). In several cases, there are data 

for multiple hydrocarbons with the same number of carbons. It can be argued that the 

C16 structure (2,7-diisopropyl naphthalene) with a half-life of 122 days does not 

represent branching that is typical of petroleum hydrocarbons. However, the C18 

structure (2,3 dimethyl-5(4methylpentyl) naphthalene) with a half-life of 65 days is 

typical and exceeds the persistence criterion. For the rest of the dataset, half-lives across 

the entire carbon chain length range from 2.1 to 11.6 days, meaning that model 

predictions are overly conservative (Figure 16). Based on the available data, it can be 

concluded that di-aromatics at or above C18 may exhibit half-lives above the persistence 

criterion. 

22


1000.0 

100.0 

10.0 

1.0 

0 5 10 15 20 25 30 35 40 

Carbon number 


Figure 15. Half-life predictions for di-aromatic hydrocarbons using the US EPA model 

BioHCwin 

Hydrocarbon 

C nr 

BioHCwin 

Predicted 

Half-Life 

(days) 

Measured 

Seawater 

Half-Life 

(days) 

Measured 

Freshwater 

Half-Life 

(days) 

biphenyl 10 31.0 11.6 2.8 

naphthalene 10 5.6 2.1 2.1 

1-methylnaphthalene 11 8.9 3.7 2.9 

2-methylbiphenyl 11 30.6 3.3 

2-methylnaphthalene 11 8.9 3.2 



2,7-diisopropyl naphthalene 16 30.5 122.0 

6-n-Butyl-2,3-dimethylnaphthalene 16 21.1 3.8 

1,1'-biphenyl, 4-pentyl- 17 53.6 3.0 

2,3 dimethyl-5(4methylpentyl) 

naphthalene 18 33.0 65.0 

Table 8. Predicted and experimental marine and freshwater half-life values for diaromatic 

hydrocarbons (rows in orange show experimental values above 60 days) 

23

100.0 


10.0 

Freshwater 

P criterion 

Marine Water 

1.0 

1.0 10.0 100.0 


Figure 16. BioHCwin (Y-axis) vs. experimental half-lives (X-axis) for di-naphthenic 

hydrocarbons 

3.9 Naphthenic Di-Aromatics 

The BioHCwin model predicts that half-lives for naphthenic di-aromatic hydrocarbons 

above C14 will be higher than 60 days (Figure 17). In several cases, there are data for 

multiple hydrocarbons with the same number of carbons. Experimental freshwater and 

marine half-lives for C16 naphthenic di-aromatics (Table 9) were higher than the 

persistence criterion for two of the three tested structures, but experimental values were 

much lower than BioHCwin predicted half-lives. Based on model predictions and due to 

the limited experimental data available (Figure 18), it is concluded that structures at or 

above C14 may have half-lives above the persistence criterion. 

1000000.0 


100000.0 

10000.0 

1000.0 

100.0 

10.0 

1.0 

0 5 10 15 20 25 30 35 40 

Carbon number 


Figure 17. Half-life predictions for naphthenic di-aromatic hydrocarbons using the US 

EPA model BioHCwin 

24

Hydrocarbon 

C nr 

BioHCwin 

Predicted 

Half-Life 

(days) 

Measured 

Seawater 

Half-Life 

(days) 

1,2,3,10b-tetrahydrofluoranthene 16 4908.0 22 

1,2,3,6,7,8 hexahydropyrene 16 11860.0 >182 

4,5,9,10-tetrahydropyrene 16 656.0 >182 

Table 9. Predicted and experimental marine and freshwater half-life values for naphthenic 

di-aromatic hydrocarbons (in bold, structure names for which BioHCwin predicts halflives 


100000.0 


10000.0 

1000.0 

100.0 

Freshwater 

10.0 

P criterion 

Marine Water 

1.0 

1.0 10.0 100.0 1000.0 10000.0 


Figure 18. BioHCwin (Y-axis) vs. experimental half-lives (X-axis) for naphthenic-diaromatic 

hydrocarbons 

3.10 Poly-Aromatics 

The BioHCwin model predicts that half-lives for poly-aromatic hydrocarbons above C14 

will be higher than 60 days (Figure 19). In several cases, there are data for multiple 

hydrocarbons with the same number of carbons. Experimental half-lives for polyaromatics 

up to C20 range from 2.5 days to > 182, while the model predicts half-lives 

from 15 to 348 days (Table 10). For some C18 structures (with more than three rings and 

o-terphenyl, Figure 20) experimental half-lives are above the persistence criterion. The 

slower degradation of four-ring PAHs is well-known (Prince and Walters 2007). Based 

on the available data it can be concluded that at or above C18, half-lives for some four 

ring poly-aromatics will be above the persistence criterion. 

25


100000.0 

10000.0 

1000.0 

100.0 

10.0 

1.0 

0 5 10 15 20 25 30 35 40 

Carbon number 


Figure 19. Half-life predictions for poly-aromatic hydrocarbons using the US EPA model 

BioHCwin 

Hydrocarbon 

C nr 

BioHCwin 

Predicted 

Half-Life 

(days) 

Measured 

Seawater 

Half-Life 

(days) 

Measured 

Freshwater 

Half-Life 

(days) 

fluorene 13 15.1 2.5 

methylfluorene 14 24.2 4.2 

phenanthrene 14 15.0 5.0 2.6 

1-methylphenanthrene 15 23.9 2.8 



9-methylanthracene 15 196.7 6.0 


fluoranthene 16 191.4 9.2 

pyrene 16 283.4 151 

1-methylpyrene 17 108.8 64.0 

benzo(b)fluorene 17 347.6 4.2 

1-methyl-7-(1methylethyl)- 

phenanthrene 18 

56.0 20 

9-n butylphenanthrene 18 22.2 72.0 

benzo[a]anthracene 18 343.8 > 182 

chrysene 18 343.8 > 182 

m-terphenyl 18 6.7 15 

o-terphenyl 18 6.7 > 182 

triphenylene 18 343.8 > 182 

7-methylbenz(a)anthracene 19 131.9 4.7 

benzo(k)fluoranthene 20 284.7 11.4 

26

enzo[a]pyrene 20 421.6 16.5 

Table 10. Predicted and experimental marine and freshwater half-life values for polyaromatic 

hydrocarbons (in bold, structure names for which BioHCwin predicts half-lives 


1000.0 


100.0 

10.0 

Freshwater 

P criterion 

1.0 

Marine Water 

1.0 10.0 100.0 


Figure 20. BioHCwin (Y-axis) vs. experimental half-lives (X-axis) for poly-aromatic 

hydrocarbons 

27

4.0 Bioaccumulation Assessment of Petroleum hydrocarbon 

Blocks 

Guidance provided by the ECHA (ECHA 2008b) on how to interpret the Annex XIII 

criteria and the recent discussion on the proposed revision of those criteria, indicate that 

the assessment of B/vB properties (B: BCF of >2000,

(see Appendix 2). Since BCF predictions derived from this model are based on a default 

lipid content of 10.7%, predictions were adjusted to 5% lipid content as recommended in 

REACH Guidance Chapter R.7c (ECHA, 2008a). Default values for particulate and 

dissolved organic carbon concentrations of 0.5 mg/l that are assumed in the BCFBAF 

model were also used as conservative defaults in these calculations. The marked 

influence that fish biotransformation exerts on the predicted BCFs derived from this 

model is evident (see second figure in each of the sections below). BAF predictions 

included in the BCFBAF model were judged to be inappropriate for hydrocarbons since 

metabolism in the gut (which effectively reduces the default dietary assimilation 

efficiency assumed in food chain model calculations) is ignored. The decision to exclude 

BAF model predictions in this analysis is supported by experimental dietary BMF data 

(see below) demonstrating the critical role of gut metabolism in limiting biomagnification 

of hydrocarbons via the diet. 

Experimental data 

Aqueous and dietary bioaccumulation data are reported in tables in each hydrocarbon 

class section. Dietary bioaccumulation tests (Anon, 2004) offer a number of practical 

advantages over traditional aqueous BCF tests, particularly for more hydrophobic test 

substances. These data may be used to calculate a biomagnification factor (BMF) which 

is defined as the concentration ratio of test substance in fish tissue at steady-state to that 

in the administered diet. If expressed on a lipid normalized basis, substances that exhibit 

a BMF significantly above one may undergo biomagnification while substances with a 

BMF well below one may exhibit trophic dilution in the food chain. Experimental 

elimination rate data derived from these studies can also be combined with allometric 

equations for estimating the uptake clearance (k 1 ) to estimate a BCF for the test substance 

(Parkerton et al. 2008): 

The BCF, normalized to 5% lipid content is calculated with the following equation: 

BCF 

C 

 

C 

fish 

water 

ku 

t 

 

0.693 

1 

2 

5 

x 

L 

fish 

where k u is the uptake rate constant (520·W -0.32 ) (Sijm et al. 1995), t 1/2 is the growthcorrected 

half-life, derived from the slope of the depuration plot and the fish growth rate 

during the dietary test, and L fish 

a correction for bioavailability which limits uptake for more hydrophobic substances. For 

such substances, complexation to low concentrations of organic carbon in dilution water 

is unavoidable. As a result, the ratio of chemical to oxygen gill transfer efficiencies 

declines as predicted by the following relationship (Gobas and Arnot 2003): 

1 

 

, X poc = 0, X doc = 2×10 -6 

(1 (0.35 

X K ) (0.08 

X K ) 

poc 

OW 

doc 

OW 

29

where POC and DOC are the particulate and dissolved organic carbon concentrations 

(kg•L -1 ) in dilution water, respectively. For the BCF values presented in the subsequent 

tables, a DOC value of 2 mg/L and a POC of 0 mg/L are assumed which corresponds to 

the acceptable concentration of total organic carbon that is specified in the OECD 305 

bioconcentration test guideline. Since DOC has a lower affinity than POC, these 

assumptions are expected to provide a conservative basis for evaluating bioavailability of 

hydrocarbons in clean lab water relative to natural waters. 

4.1 Normal Paraffins 

Bioconcentration factor predictions for n-paraffins obtained using the regression method 

(Figure 21) are above the B criterion of 2000 for the C14 n-paraffin, tetradecane. When 

biotransformation is incorporated to the model, none of the predicted n-paraffin BCFs are 

above 2000 (Figure 22). Dietary BCF values, which are typically more conservative than 

aqueous BCF values, are above the criterion for C9, and C12-C14 (Table 11). In contrast, 

aqueous BCF test data in the same carbon range are all below the criterion (Figure 23). 

The elevated BCF prediction for tetradecane is confirmed by the BMF, which is near 1 

(Figure 24). It can be concluded that based on the available data, only a C13 and C14 n- 

paraffin have a BCF greater than 2000, and no n-paraffin has a BCF greater than 5000 

(vB criterion). Thus the C13 and C14 n-paraffins may fulfill the B criterion but not the 

vB criterion. 

10000 

BCF (regression) 

1000 

100 

10 

n-Paraffins 

B 

vB 

1 

0 5 10 15 20 25 30 35 40 

Carbon Number 

Figure 21. Predicted fish BCFs for n- paraffins using the regression-based approach in 

BCFBAF. B – 2000, vB - 5000 

30

10000 

BCF (Arnot) 

1000 

100 

10 

1 

n-Paraffins 

B 

vB 

0 

0 5 10 15 20 25 30 35 40 

Carbon Number 

Figure 22. Predicted fish BCFs for n-paraffins using Arnot’s equations incorporating 

metabolism (Arnot and Gobas 2003). B – 2000, vB - 5000 

Hydrocarbon C BMF 

BCF 

(Arnot) 

Dietary 

BCF 

Aqueous 

BCF 

Species 

Reference 

n-nonane 9 0.128 666 2531 RT EMBSI, 2001a 

n-dodecane 12 0.224 732 4408 RT EMBSI, 2001a 

12 0.041 732 773 RT EMBSI, 2005e 

732 400 FHM 

Tolls and v 

Dijk , 2002 

n-tridecane 13 0.27 640 3210 RT EMBSI, 2007a 

n-tetradecane 14 1.07 415 4231 RT EMBSI, 2006a 

n-pentadecane 15 203 20 C CITI, 1992 

n-hexadecane 16 0.485 90 756 RT EMBSI, 2001a 

90 46 C CITI, 1992 

n-hexadecane 

(deuterated) 

16 0.653 90 778 RT EMBSI, 2005a 

Table 11. Experimentally derived dietary and aqueous bioaccumulation data for n- 

paraffins. BCF (Arnot) is the predicted BCF using Arnot’s equations incorporating 

metabolism (Arnot and Gobas 2003). RT: rainbow trout; FHM: fathead minnow; C: carp. 

Bold blue entries represent BCF values between the B criterion (2000) and the vB 

criterion (5000). 

31

10000 

Experimental BCF 

1000 

100 

10 

nP Dietary BCF 

nP Aqueous BCF 

B 

vB 

1 

5 10 15 20 25 30 

Carbon Number 

Figure 23. Experimentally derived fish BCFs for n-paraffins. B – 2000, vB - 5000 

Experimental BMF 

10 

1 

0.1 

nP Dietary BMF 

BMF = 1 

0.01 

5 10 15 20 

Carbon Number 

Figure 24. Experimentally derived fish BMFs for n-paraffins from dietary 

bioaccumulation studies 

4.2 Iso-paraffins 

Regression method BCF predictions for iso-paraffins (Figure 25) are above the B 

criterion of 2000 for structures ranging from C11 to C16. Above these carbon chain 

lengths, BCF values decrease below 2000. When biotransformation is incorporated into 

the model, none of the iso-paraffin BCF predictions are above 2000 (Figure 26). 

Experimental BCF values for iso-paraffins range from 673 (aqueous) to 6004 (dietary). 

Dietary BCF values, which are typically more conservative than aqueous BCF values, are 

above the B criterion for selected C9, C11 and C12 structures. Aqueous BCF data for 

2,2,4,6,6-pentamethylheptane which is a highly branched, atypical structure indicates the 

B criterion maybe fulfilled (Figure 27). For all tested C13, C15 and C16 structures 

dietary calculated BCFs exceed 2000 (Table 12). However, reliable aqueous BCF data 

for C15 and C16 structures indicate these compounds do not fulfill the B criterion but do 

32

exhibit BMFs near unity (Figure 28). It can be concluded that based on the available 

data, C12-C16 iso-paraffins may be bioaccumulative (B), but not very bioaccumulative 

(vB). 


100000 

10000 

1000 

100 

10 

i-Paraffins 

B 

vB 

1 

0 5 10 15 20 25 30 35 

Carbon Number 

Figure 25. Predicted fish BCFs for iso-paraffins using the regression-based approach in 

BCFBAF. B – 2000, vB - 5000 

10000 

BCF (Arnot) 

1000 

100 

10 

i-Paraffins 

B 

vB 

1 

0 

0 5 10 15 20 25 30 35 

Carbon Number 

Figure 26. Predicted fish BCFs for iso-paraffins using Arnot’s equations incorporating 

metabolism (Arnot and Gobas 2003). B – 2000, vB - 5000 

33


BCF 

(Arnot) 

Dietary 

BCF 

Aqueous 

BCF 

Species 

Reference 

2,2,4- 

CITI, 1992 

8 200 853 C 

trimethylpentane 

8 200 821 C CITI, 1992 

2,3-dimethylheptane 9 0.258 298 3726 RT 

EMBSI, 

2001a 

2,3-dimethylheptane 9 0.065 298 1957 RT 

EMBSI, 

2006a 

2,6-dimethyl octane 10 0.014 406 1735 RT 

EMBSI, 

2006a 

3-ethyl-nonane 11 0.036 602 2235 RT 

EMBSI, 

2004a 

3-methyl decane 11 0.02 602 1753 RT 

EMBSI, 

2006a 

2-methyl decane 11 0.036 602 663 RT 

EMBSI, 

2006a 

2,2,4,6,6- 

EMBSI, 

12 0.187 1012 5899 RT 

pentamethylheptane 

2001a 

12 1012 4518 RT 

EMBSI 

2004c 

12 1012 1467 FHM 

Tolls and v 

Dijk, 2002 

2,3 dimethyldecane 12 0.03 693 1049 RT 

EMBSI, 

2005d 

2,3 dimethyldecane 12 0.022 693 6004 RT 

EMBSI, 

2006a 

2,6-dimethyldecane 12 0.073 693 4380 RT 

EMBSI, 

2001a 

2,6-dimethyldecane 12 0.023 693 299 RT 

EMBSI, 

2005e 

2-methyl undecane 12 0.051 695 2983 RT 

EMBSI, 

2006a 

2,2,3-trimethyl 

EMBSI, 

13 0.094 844 2499 RT 

decane 

2004a 


EMBSI, 

13 0.038 844 3623 RT 

decane 

2006a 

2,6-dimethyl 

EMBSI, 

13 0.094 656 3467 RT 

undecane 

2006a 

4-methyl dodecane 13 0.077 631 2921 RT 

EMBSI, 

2006a 


EMBSI, 

15 1.27 251 2424 RT 

dodecane 

2004a 


EMBSI, 

15 0.72 251 3345 RT 

dodecane 

2005b 

15 291 RT 

EMBSI 

2004b 

15 817 RT 

EMBSI, 

2005c 

34

2,2,4,4,6,8,8- 

heptamethyl nonane 

16 1.01 298 2620 RT 

16 298 673 RT 

EMBSI, 

2004a 

EMBSI, 

2005c 

Table 12. Experimentally derived dietary and aqueous bioaccumulation data for isoparaffins. 

BCF (Arnot) is the predicted BCF using Arnot’s equations incorporating 

metabolism (Arnot and Gobas 2003). RT: rainbow trout; FHM: fathead minnow; C: carp. 

Bold blue entries represent BCF values between the B criterion (2000) and the vB 

criterion (5000). Bold red entries represent BCF values above the vB criterion (5000). 

10000 


1000 

100 

10 

iP Dietary BCF 

iP Aqueous BCF 

B 

vB 

1 

5 10 15 20 

Carbon Number 

Figure 27. Experimentally derived fish BCFs for iso-paraffins. B – 2000, vB - 5000 

10 

iP Dietary BMF 

BMF = 1 


1 

0.1 

0.01 

5 10 15 20 

Carbon Number 

Figure 28. Experimentally derived fish BMFs for iso-paraffins from dietary 

bioaccumulation studies 

35

4.3 Mono-Naphthenic hydrocarbons 

The regression-based BCF predictions for mono-naphthenic hydrocarbons (Figure 29) are 

above the B criterion of 2000 for structures ranging from C11 to C18. Above these 

carbon chain lengths, BCF values decrease below 2000. When biotransformation is 

incorporated into the model, only one C12 BCF prediction is above 2000 (Figure 30). 

Experimental BCF values for mono-naphthenic hydrocarbons range from 77 (aqueous) to 

4614 (dietary). Dietary BCF values are above the B criterion for many of the tested 

structures, which range from C9 to C14 (Table 13). Aqueous BCF data are limited but 

data for a C8 structure indicates the B criterion is fulfilled (Figure 31). Experimental 

BMF factors, derived from the dietary data (Figure 32), are always below 1 suggesting 

that calculated dietary BCFs may overstate bioaccumulation potential at least for some 

structures. It can be concluded that based on the available data, mono-naphthenic 

hydrocarbons below C8 are not bioaccumulative, and that some C8-C14 mononaphthenic 

hydrocarbons may meet the bioaccumulative criterion (above 2000), but do 

not exceed 5000, therefore are not very bioaccumulative (vB). 


100000 

10000 

1000 

100 

10 

Mononaphthenics 

B 

vB 

1 

0 5 10 15 20 25 30 35 

Carbon Number 

Figure 29. Predicted fish BCFs for mono-naphthenic hydrocarbons using the regressionbased 

approach in BCFBAF. B – 2000, vB - 5000 

10000 

BCF (Arnot) 

1000 

100 

10 

1 

Mononaphthenics 

B 

vB 

0 

0 5 10 15 20 25 30 35 

Carbon Number 

Figure 30. Predicted fish BCFs for mono-naphthenic hydrocarbons using Arnot’s 

equations incorporating metabolism (Arnot and Gobas 2003). B – 2000, vB - 5000 

36


BCF 

(Arnot) 

Dietary 

BCF 

Aqueous 

BCF 

Species 

Reference 

cyclohexane 6 71 77 C CITI, 1992 

1-methylcyclohexane 7 106 240 C CITI, 1992 

ethylcyclohexane 8 342 2529 C CITI, 1992 


cyclohexane 

9 0.35 456 3882 RT EMBSI, 2001a 

cis-1,1,3,5 tetramethyl 

cyclohexane 

10 0.543 620 4614 RT EMBSI, 2003 

iso-butyl cyclohexane 10 0.223 484 2028 RT EMBSI, 2003 

1-isobutyl-2,5-dimethyl 

cyclohexane 

11 0.332 1363 2423 RT EMBSI, 2004a 

1,4-diisopropyl 

cyclohexane 

12 0.332 1047 3315 RT EMBSI, 2004a 

n-hexylcyclohexane 12 0.042 891 1917 RT EMBSI, 2004a 

3-methyl-1-hexyl 

cyclohexane 

13 0.066 1152 3428 RT EMBSI, 2006a 

n-heptylcyclohexane 13 0.02 858 591 RT EMBSI, 2005e 

cyclohexane, 1,1'-(1,2- 

ethanediyl)bis- 

14 0.05 858 410 RT EMBSI, 2005d 

n-octylcyclohexane 14 0.06 607 2536 RT EMBSI, 2006a 

Table 13. Experimentally derived dietary and aqueous bioaccumulation data for mononaphthenic 

hydrocarbons. BCF (Arnot) is the predicted BCF using Arnot’s equations 

incorporating metabolism (Arnot and Gobas 2003). RT: rainbow trout; C: carp. Bold blue 

entries represent BCF values between the B criterion (2000) and the vB criterion (5000). 

10000 


1000 

100 

10 

1 

MN Dietary BCF 

MN Aqueous BCF 

B 

vB 

5 10 15 

Carbon Number 

37

Figure 31. Experimentally derived fish BCFs for mono-naphthenic hydrocarbons. B – 

2000, vB - 5000 

10 

MN Dietary BMF 

BMF = 1 


1 

0.1 

0.01 

5 10 15 

Carbon Number 

Figure 32. Experimentally derived fish BMFs for mono-naphthenic hydrocarbons from 

dietary bioaccumulation studies 

4.4 Di-Naphthenic hydrocarbons 

Regression-based BCF predictions for di-naphthenic hydrocarbons (Figure 33) are above 

the B criterion of 2000 for structures ranging from C14 to C20. When biotransformation 

is incorporated to the model, BCF predictions for structures with carbon numbers ranging 

from C13 to C18 are above 2000 (Figure 34). Dietary BCF values are above the B 

criterion for many of the tested structures, which range from C9 to C16 (Table 14). One 

of the structures, trans-decalin, has a calculated dietary BCF value of more than 5000 but 

several aqueous BCF values for cis-decalin clearly show the true BCF is below 5000. 

Experimental BMF factors, derived from the dietary data (Figure 36), are always below 1 

indicating these substances are not expected to biomagnify. It can be concluded that 

based on the available data, some C10 to C18 di-naphthenic hydrocarbons likely meet the 

bioaccumulative (B), but not very bioaccumulative (vB) criterion. 

38


100000 

10000 

1000 

100 

10 

Dinaphthenics 

B 

vB 

1 

0 5 10 15 20 25 30 35 40 

Carbon number 

Figure 33. Predicted fish BCFs for di-naphthenic hydrocarbons using the regressionbased 


10000 

BCF (Arnot) 

1000 

100 

10 

Dinaphthenics 

B 

vB 

1 

0 

0 5 10 15 20 25 30 35 40 

Carbon number 

Figure 34. Predicted fish BCFs for di-naphthenic hydrocarbons using Arnot’s equations 

incorporating metabolism (Arnot and Gobas 2003). B – 2000, vB - 5000 


BCF 

Arnot 

Dietary 

BCF 

Aqueous 

BCF 

Species 

Reference 

bicyclo[4.3.0] 

nonane 

9 0.079 194 838 RT EMBSI, 2003 

trans-decalin 10 0.856 486 5846 RT EMBSI, 2001a 

10 486 1962 C CITI, 1992 

10 486 2250 C CITI, 1992 

cis-decalin 10 486 2573 C CITI, 1992 

10 486 2323 C CITI, 1992 

39

2-isopropyl 

decalin 

13 0.02 2694 3893 RT EMBSI, 2006a 

13 0.056 2694 1606 RT EMBSI, 2007b 

0.02 2694 2877 C EMBSI, 2007c 

bicyclohexyl 12 0.17 1031 1324 EMBSI, 2005d 


decalin 

16 0.1 2915 4543 EMBSI, 2008a 

Table 14. Experimentally derived dietary and aqueous bioaccumulation data for dinaphthenic 


incorporating metabolism (Arnot and Gobas 2003). RT: rainbow trout; C: carp. Bold 

blue entries represent BCF values between the B criterion (2000) and the vB criterion 

(5000). Bold red entries represent BCF values above the vB criterion (5000). 

10000 


1000 

100 

5 10 15 20 

Carbon Number 

Dinaphthenic Dietary BCF 

Dinapthenic Aqueous BCF 

B 

vB 

Figure 35. Experimentally derived fish BCFs for di-naphthenic hydrocarbons. B – 2000, 

vB - 5000 


10 

1 

0.1 

Dinaphthenic Dietary BMF 

BMF = 1 

0.01 

5 10 15 20 

Carbon Number 

Figure 36. Experimentally derived fish BMFs for di-naphthenic hydrocarbons from 


40

4.5 Polynaphthenic hydrocarbons 

Regression method-based BCF predictions for polynaphthenic hydrocarbons (Figure 37) 

are above the B criterion of 2000 for C15 to C27 structures. When biotransformation is 

incorporated to the model, BCF predictions for structures ranging from C14 to C22 are 

above 2000 (Figure 38). Dietary BCF values, which are typically more conservative than 

aqueous BCF values, are above the vB criterion for some of the tested structures, which 

range from C16 to C18 (Table 15). While hexadecahydropyrene exhibited the highest 

calculated dietary BCF, the aquatic BCF value for this compound is below 5000. Since 

this compound is considered the worst case representative structure for this HCB, it can 

be concluded polynaphthenic hydrocarbons do not have BCFs exceeding 5000. 

Experimental BMF factors derived from dietary data (Figure 40) provide further support 

since BMFs are at or below 1. It can be concluded that based on the available data, some 

C14 to C22 polynaphthenic hydrocarbons may be bioaccumulative (B), but not very 

bioaccumulative (vB). 

100000 


10000 

1000 

100 

10 

Polynaphthenics 

B 

vB 

1 

5 10 15 20 25 30 35 

Carbon Number 

Figure 37. Predicted fish BCFs for polynaphthenic hydrocarbons using the regressionbased 


10000 

1000 

BCF (Arnot) 

100 

10 

1 

Polynaphthenics 

B 

vB 

0 

5 10 15 20 25 30 35 

Carbon Number 

Figure 38. Predicted fish BCFs for polynaphthenic hydrocarbons using Arnot’s equations 

incorporating metabolism (Arnot and Gobas 2003). B – 2000, vB - 5000 

41


BCF 

Arnot 

Dietary 

BCF 

Aqueous 

BCF 

Species 

hexadecahydropyrene 16 1.02 4084 19451 4955 RT 

isopropyl 

hydrophenanthrene 

1-methyl-7- 

(isopropyl)- 

hydrophenanthrene 

17 0.448 3563 11595 RT 

18 0.35 2872 7607 RT 

perhydrochrysene 18 0.376 4871 9691 RT 

1,1':3', 1"- 

tercyclohexane 

hydrogenated 

terphenyl 

18 0.44 95 282 RT 

Reference 

EMBSI, 

2008a, 2009b 

EMBSI, 

2006b 

EMBSI, 

2008a 

EMBSI, 

2008b 

EMBSI, 

2008c 

18 4650 C CITI, 1992 

Table 15. Experimentally derived dietary and aqueous bioaccumulation data for polynaphthenic 


incorporating metabolism (Arnot and Gobas 2003). RT: rainbow trout; C: carp. Bold 

blue entries represent BCF values between the B criterion (2000) and the vB criterion 

(5000). Bold red entries represent BCF values above the vB criterion (5000). 


100000 

10000 

1000 

Polynaphth. Dietary BCF 

Polynaphth. Aqueous BCF 

B 

vB 

100 

15 16 17 18 19 20 

Carbon Number 

Figure 39. Experimentally derived fish BCFs for polynaphthenic hydrocarbons. B – 2000, 

vB - 5000 

42


10 

1 

Polynaphth. Dietary BMF 

BMF = 1 

0.1 

15 16 17 18 19 20 

Carbon Number 

Figure 40. Experimentally derived fish BMFs for polynaphthenic hydrocarbons from 


4.6 Mono-Aromatics 

Regression method BCF predictions for mono-aromatics (Figure 41) are above the B 

criterion of 2000 for structures ranging from C12 to C17. When biotransformation is 

incorporated to the model, none of the BCF predictions are above 2000 (Figure 42). 

Dietary BCF values, which are typically more conservative than aqueous BCF values, are 

below the B criterion for all tested structures (C9 to C16) except 1,3,5-tris(1- 

methylethyl)-benzene (triisopropyl benzene, Table 16). However, this compound is not 

representative of petroleum hydrocarbon structures and is therefore not used for B 

assessment of this HCB. Aqueous BCFs for all other monoaromatics are below 2000. 

Experimental BMF factors derived from dietary data (Figure 44) are consistently well 

below 1. It can be concluded that based on the available data, mono-aromatic 

hydrocarbons, as a class, are neither bioaccumulative nor very bioaccumulative. 


100000 

10000 

1000 

100 

10 

Monoaromatics 

B 

vB 

1 

5 10 15 20 25 30 35 

Carbon Number 

Figure 41. Predicted fish BCFs for mono-aromatic hydrocarbons using the regressionbased 


43

10000 

BCF (Arnot) 

1000 

100 

10 

1 

Monoaromatics 

B 

vB 

0 

5 10 15 20 25 30 35 

Carbon Number 

Figure 42. Predicted fish BCFs for mono-aromatic hydrocarbons using Arnot’s equations 

incorporating metabolism (Arnot and Gobas, 2003). B – 2000, vB - 5000 

Hydrocarbon C nr BMF 

1,3,5- 

trimethylbenzene 

BCF 

Arnot 

Dietary 

BCF 

Aqueous 

BCF 

Species 

9 0.025 95 1209 RT 

Reference 

EMBSI, 

2001a 

9 95 338 C CITI, 1992 

9 95 343 C CITI, 1992 

alpha-methylstyrene 9 8 78 C CITI, 1992 

9 82 63 C CITI, 1992 

1,2,4- 


9 91 154 C CITI, 1992 

9 91 119 C CITI, 1992 

1,2,3- 


9 95 125 C CITI, 1992 

9 95 141 C CITI, 1992 

1,2,3,4-tetramethyl 

benzene 

10 0.051 103 717 RT EMBSI, 2003 

m-cymene 10 392 531 C CITI, 1992 

10 392 572 C CITI, 1992 

m-diethylbenzene 10 340 556 C CITI, 1992 

p-diethylbenzene 10 343 478 C CITI, 1992 

tert-pentylbenzene 11 244 624 C CITI, 1992 

1-tert- butyl-4-methyl 

benzene 

11 0.096 1044 760 RT EMBSI, 2003 

m- 

diisopropylbenzene 

12 628 1349 C CITI, 1992 

p-diisopropylbenzene 12 628 1607 C CITI, 1992 

diisopropylbenzene 

(2531-09-9) 

12 628 1519 C CITI, 1992 

1,1,1-trimethyl butyl 13 0.055 351 556 RT EMBSI, 

44

enzene 

n-octylbenzene 14 0.034 403 414 RT 

14 0.011 403 694 C 

decylbenzene 16 0.18 191 596 RT 

2007a 

EMBSI, 

2007b 

EMBSI, 

2007c 

EMBSI, 

2005d 

Table 16. Experimentally derived dietary and aqueous bioaccumulation data for 

monoaromatic hydrocarbons. BCF (Arnot) is the predicted BCF using Arnot’s equations 

incorporating metabolism (Arnot and Gobas 2003). RT: rainbow trout; C: carp 

10000 


1000 

100 

5 10 15 20 25 

Carbon Number 

Monoar. Dietary BCF 

Monoar. Aqueous BCF 

B 

vB 

Figure 43. Experimentally derived fish BCFs for mono-aromatics for mono-aromatic 

hydrocarbons. B – 2000, vB - 5000 


10 

1 

0.1 

Monoar. Dietary BMF 

BMF = 1 

0.01 

5 10 15 20 

Carbon Number 

Figure 44. Experimentally derived fish BMFs for mono-aromatic hydrocarbons from 


45

4.7 Naphthenic Mono-Aromatics 

Regression method-based BCF predictions for naphthenic mono-aromatics (Figure 45) 

are above the B criterion of 2000 for structures ranging from C13 to C24. When 

biotransformation is incorporated to the model, BCF predictions are above 2000 for a few 

C14 and C17 structures (Figure 46). Some aqueous and dietary BCFs are above 2000 in 

the C13-C18 range, although none of these values exceed 5000 (Table 17). Experimental 

BMFs derived from dietary data are all below one, with the exception of one compound 

(3-phenyl bicyclohexyl), which has a BMF near unity but a dietary calculated BCF of 

only 300. It can be concluded that based on the available data, some naphthenic monoaromatic 

hydrocarbons in the C13 to C18 range may be bioaccumulative, but are not very 

bioaccumulative. 

100000 

10000 


1000 

100 

10 

NMAr 

B 

vB 

1 

5 10 15 20 25 30 35 

Carbon Number 

Figure 45. Predicted fish BCFs for naphthenic mono-aromatic hydrocarbons using the 

regression-based approach in BCFBAF. NMAr: naphthenic monoaromatic. B – 2000, vB 

- 5000 

46

10000 

1000 

BCF (Arnot) 

100 

10 

1 

NMAr 

B 

vB 

0 

5 10 15 20 25 30 35 

Carbon Number 

Figure 46. Predicted fish BCFs for naphthenic mono-aromatic hydrocarbons using 

Arnot’s equations incorporating metabolism (Arnot and Gobas 2003). NMAr: naphthenic 

monoaromatic. B – 2000, vB - 5000 


BCF 

Arnot 

Dietary 

BCF 

Aqueous 

BCF 

tetralin 10 103 230 C 

1,2,3,4-tetrahydro-1,4- 

dimethyl naphthalene 

12 0.158 800 1364 RT 

1,1,6-trimethyl tetralin 13 0.328 1119 2381 RT 

1,2,3,4,5,6,7,8- 

octahydrophenanthrene 

2,2,5,7- 

tetramethyltetralin 

1,1,3,3,5- 

pentamethylindan 

14 0.128 239 3063 3418 RT 

14 0.05 574 1171 RT 

15 0.146 640 2347 RT 

2-hexyl tetralin 16 0.013 605 939 RT 

dehydroabietine 17 0.053 1061 4097 RT 

3-phenyl bicyclohexyl 18 1.09 252 300 RT 

m- 

dicyclohexylbenzene 

18 0.07 265 607 1406 RT 

dodecahydrochrysene 18 0.17 82 1773 4588 RT 

Species Reference 

CITI, 

1992 

EMBSI, 

2003 

EMBSI, 

2004a 

EMBSI, 

2005e, 

2009b 

EMBSI, 

2006b 

EMBSI, 

2006b 

EMBSI, 

2006a 

EMBSI, 

2006b 

EMBSI, 

2005d 

EMBSI, 

2008c 

EMBSI, 

2008c 


naphthenic monoaromatic hydrocarbons. BCF (Arnot) is the predicted BCF using Arnot’s 

equations incorporating metabolism (Arnot and Gobas 2003). RT: rainbow trout; C: 

47

carp. Bold blue entries represent BCF values between the B criterion (2000) and the vB 


10000 

NMAr Dietary BCF 

NMAr Aqueous BCF 

B 

vB 


1000 

100 

5 10 15 20 25 

Carbon Number 

Figure 47. Experimentally derived fish BCFs for naphthenic mono-aromatic 

hydrocarbons. NMAr: naphthenic monoaromatic. B – 2000, vB - 5000 


10 

1 

0.1 

NMAr Dietary BMF 

BMF = 1 

0.01 

5 10 15 20 

Carbon Number 

Figure 48. Experimentally derived fish BMFs for naphthenic mono-aromatic 

hydrocarbons from dietary bioaccumulation studies. NMAr: naphthenic monoaromatic 

4.8 Di-Aromatics 

Regression method-based BCF predictions for di-aromatics (Figure 49) are above the B 

criterion of 2000 for structures ranging from C15 to C22. When biotransformation is 

incorporated to the model, BCF predictions are above 2000 for a few structures ranging 

from C15 to C18 (Figure 50). Only a few aqueous and dietary BCFs in the large dataset 

available for di-aromatics are above 2000, mainly for structures above C15 (Table 17). A 

reported aqueous BCF of 12298 for 2-isopropylnaphthalene reported by Jonsson et al. 

(2004) is contradictory to two high quality values (1620, 600) reported by CITI (1992) 

48

and appears to be an outlier. This value is not consistent with 11 other BCF values for 

C11-C16 methylated naphthalenes, all of which indicate that these structures are not 

bioaccumulative. 

There is some indication that selected C16 and C18 di-aromatic structures may be 

bioaccumulative. However, the compounds that trigger the B criterion have structural 

features (di-isopropyl branching, ethanediyl and bibenzyl moities) that are not typical of 

petroleum hydrocarbons. If data for only representative structures are considered, 

available data show di-aromatics exhibit a low bioaccumulation potential. This 

conclusion is further supported by the fact that experimental BMF values (Figure 51) for 

these structures are at or well below 0.1 (Figure 52). It can be concluded that based on 

the available data, di-aromatic hydrocarbons, as a class, are neither bioaccumulative nor 

very bioaccumulative. 

100000 

10000 


1000 

100 

10 

DiAr 

B 

vB 

1 

5 10 15 20 25 30 35 

Carbon Number 

Figure 49. Predicted fish BCFs for di-aromatic hydrocarbons (DiAr) using the regressionbased 


49

10000 

1000 

BCF (Arnot) 

100 

10 

1 

DiAr 

B 

vB 

0 

5 10 15 20 25 30 35 

Carbon Number 

Figure 50. Predicted fish BCFs for di-aromatic hydrocarbons (DiAr) using Arnot’s 



BCF 

Arnot 

Dietary 

BCF 

Aqueous 

BCF 

Species 

Reference 

naphthalene 10 0.005 229 814 RT 

EMBSI, 

2005a 

10 229 95 C CITI, 1992 

10 229 91 C CITI, 1992 

2-methylnaphthalene 11 389 1871 SHM 

Jonsson et 

al, 2004 

2-methylnaphthalene 11 0.01 389 651 RT 

EMBSI, 

2005a 

methylnaphthalenes 11 0.063 398 857 RT 

EMBSI, 

2001b 

1,3-dimethylnaphthalene 12 378 2051 SHM 

Jonsson et 

al, 2004 

2,3-dimethylnaphthalene 12 0.012 378 973 RT 

EMBSI, 

2005a 

di-me & et naphthalenes 12 0.108 863 1425 RT 

EMBSI, 

2001b 

tri-me naphthalenes 13 0.092 2011 1702 RT 

EMBSI, 

2001b 

2-isopropylnapthalene 13 740 12298 SHM 

Jonsson et 

al, 2004 

isopropylnaphthalene 13 740 1620 C CITI, 1992 

13 740 600 C CITI, 1992 

diphenylmethane 13 95 904 C CITI, 1992 

4-ethyl-1,1'-biphenyl 14 0.031 863 216 RT 

EMBSI, 

2008b 

14 0.005 863 628 C 

EMBSI, 

2008c 

50

4-ethylbiphenyl 14 863 1039 C 

Yakata et 

al, 2006 

1,4-dimethyl-2-(1- 

Yakata et 

16 400 1106 C 

phenylethyl) benzene 

al, 2006 

3,3',4,4'-tetramethyl 1,1'- 

EMBSI, 

16 0.009 2068 536 RT 

biphenyl 

2005e 


EMBSI, 

16 0.043 1570 229 RT 

naphthalene 

2008b 

2,7- 

EMBSI, 

16 0.03 1570 2422 C 

diisopropylnaphthalene 

2008c 

benzyl-p-xylene 16 426 1869 C CITI, 1992 

426 1407 C CITI, 1992 

6-n-butyl-2,3- 

EMBSI, 

16 0.013 386 1695 RT 


2006b 

4-pentyl-1,1'-Biphenyl 17 0.067 746 526 RT 

EMBSI, 

2005d 

benzene, 1,1'-(1,1,2,2- 

tetramethyl-1,2- 

ethanediyl)bis- 

3,3',5,5'- tetramethyl 

bibenzyl 

2,3-dimethy- 

5(4methylpentyl) 

naphthalene 

2,3-dimethy- 

5(4methylpentyl) 

naphthalene 

18 0.167 440 3097 RT 

18 0.42 440 3501 RT 

18 0.04 229 229 RT 

18 0.046 389 191 RT 

EMBSI, 

2005e 

EMBSI, 

2005e 

EMBSI, 

2005d 

EMBSI, 

2006b 

Table 18. Experimentally derived dietary and aqueous bioaccumulation data for diaromatic 


incorporating metabolism (Arnot and Gobas 2003). RT: rainbow trout; C: carp; SHM: 

sheepshead minnow. Bold blue entries represent BCF values between the B criterion 

(2000) and the vB criterion (5000). Bold red entries represent BCF values above the vB 


51


100000 

10000 

1000 

DAH Dietary BCF 

DAH Aqueous BCF 

B 

vB 

100 

5 10 15 20 25 

Carbon Number 

Figure 51. Experimentally derived fish BCFs for di-aromatic hydrocarbons (DiAr) . B – 

2000, vB - 5000 


10 

1 

0.1 

0.01 

DAH Dietary BMF 

BMF = 1 

0.001 

5 10 15 20 

Carbon Number 

Figure 52. Experimentally derived fish BMFs for di-aromatic hydrocarbons (DiAr) from 


4.9 Naphthenic Di-Aromatics 

Regression method-based BCF predictions for naphthenic di-aromatic hydrocarbons 

(Figure 53) are above the B criterion of 2000 for structures ranging from C15 to C23. 

When biotransformation is incorporated to the model, none of the BCF predictions are 

above 2000 (Figure 54). In support of model predictions, no aqueous or dietary BCF that 

is available for naphthenic di-aromatics structures is above 2000. Furthermore, all 

experimental BMF values (Figure 55) are below 0.1. It can be concluded that based on 

the available data, naphthenic di-aromatic hydrocarbons, as a class, are not 

bioaccumulative or very bioaccumulative. 

52

100000 


10000 

1000 

100 

10 

NDiAr 

B 

vB 

1 

10 15 20 25 30 35 

Carbon Number 

Figure 53. Predicted fish BCFs for naphthenic di-aromatic hydrocarbons (NDiAr) using 

the regression-based approach in BCFBAF. B – 2000, vB - 5000 

10000.0 

1000.0 

BCF (Arnot) 

100.0 

10.0 

1.0 

NDiAr 

B 

vB 

0.1 

10 15 20 25 30 35 

Carbon Number 

Figure 54. Predicted fish BCFs for naphthenic di-aromatic hydrocarbons (NDiAr) using 

Arnot’s equations incorporating metabolism (Arnot and Gobas 2003). B – 2000, vB - 

5000 


BCF 

Arnot 

Dietary 

BCF 

Aqueous 

BCF 

Species 

Reference 

acenaphthene 12 44 979 C CITI, 1992 

12 44 1003 C CITI, 1992 

1,2,3,10b-tetrahydro 

fluoranthene 

16 0.023 132 506 RT EMBSI, 2008a 

1,2,3,6,7,8- 16 0.056 176 1349 RT EMBSI, 2005e 

53

hexahydropyrene 

4,5,9,10- 

tetrahydropyrene 

cyclohexylbiphenyl 

(hexahydroterphenyl) 

16 0.025 12 368 RT EMBSI, 2008a 

18 0.06 82 426 1646 RT 

hexahydrochrysene 18 0.05 2353 346 653 RT 

octahydrochrysene 18 0.05 157 141 670 RT 

EMBSI, 

2008c, 2009b 

EMBSI, 

2008c, 2009b 

EMBSI, 

2008c, 2009b 


naphthenic di-aromatic hydrocarbons. BCF (Arnot) is the predicted BCF using Arnot’s 

equations incorporating metabolism (Arnot and Gobas 2003). RT: rainbow trout; C: carp. 

10000 


1000 

NDiAr Dietary BCF 

NDiAr Aqueous BCF 

B 

vB 

100 

5 10 15 20 25 

Carbon Number 

Figure 55. Experimentally derived fish BCFs for naphthenic di-aromatic hydrocarbons 

(NDiAr). B – 2000, vB - 5000 

54

10 


1 

0.1 

NDiAr Dietary BMF 

BMF = 1 

0.01 

15 16 17 18 19 20 

Carbon Number 

Figure 56. Experimentally derived fish BMFs for naphthenic di-aromatic hydrocarbons 

(NDiAr) from dietary bioaccumulation studies 

4.10 Poly-Aromatics 

Regression method BCF predictions for poly-aromatic hydrocarbons structures (Figure 

57) are above the B criterion of 2000, ranging from C15 to C28. When biotransformation 

is incorporated to the model, BCF predictions are above 2000 for one C25 structure 

(Figure 58). There is a very large experimental BCF dataset available for poly-aromatic 

hydrocarbons (Table 20). With the exception of anthracene, phenanthrene and o- 

terphenyl model predictions and reliable BCF data indicate that these substances do not 

meet the B criteria. There are three terphenyl isomers (o-. m-, and p-terphenyl), two of 

which do not meet the B criterion. The third, o-terphenyl, meets the B criterion in two of 

three studies, including an aqueous BCF study. Anthracene has been determined to be a 

PBT substance by the ECB TC-NES PBT Working Group. At the time of the release of 

this assessment, o-Terphenyl has not been decided. 

A compilation of dietary and aqueous BCFs (Figure 59), laboratory BMFs (Figure 60) 

and field BSAFs (Figure 61)(USEPA, 2008) and TMFs (Table 21)(Wan et al. 2007; Nfon 

et al, 2008; Takeuchi et al. 2009) support the general conclusion that poly-aromatic 

hydrocarbons (PAH) do not meet the B or vB criteria. In fact, available data provide a 

compelling case that PAH are not biomagnified but rather, undergo trophic dilution in the 

field thereby limiting exposure via the foodchain. This is supported further by other 

studies that do not present TMF data, but show evidence of PAH metabolism (Broman et 

al. 1990; D’Adamo et al. 1997) Therefore, it can be concluded that based on the available 

data, only C14 poly-aromatic hydrocarbons (e.g. anthracene and phenanthrene) meet the 

B criterion. 

55

100000 


10000 

1000 

100 

10 

PAr 

B 

vB 

1 

10 15 20 25 30 35 

Carbon Number 

Figure 57. Predicted fish BCFs for poly-aromatic hydrocarbons (PAr) using the 

regression-based approach in BCFBAF. B – 2000, vB - 5000 

10000 

BCF (Arnot) 

1000 

100 

10 

10 15 20 25 30 35 

Carbon Number 

PAr 

B 

vB 

Figure 58. Predicted fish BCFs for poly-aromatic hydrocarbons (PAr) using Arnot’s 



Arnot 

BCF 

Dietary 

BCF 

Aqueous 

BCF 

Species 

Reference 

acenaphthylene 12 0.005 269 67 RT 

Niimi and 

Dookhran 1989 

12 269 579 C Yakata, 2006 

12 269 596 C Yakata, 2006 

56


Arnot 

BCF 

Dietary 

BCF 

Aqueous 

BCF 

Species 

Reference 

12 269 507 C CITI, 1992 

12 269 488 C CITI, 1992 

fluorene 13 0.03 197 316 RT 

Niimi and 

Palazzo 1986 

13 197 672 C CITI, 1992 

13 197 780 C CITI, 1992 

13 197 1875 FHM 

Carlson et al., 

1979 

13 197 1146 FHM 


1979 

anthracene* 14 0.004 362 811 RT EMBSI, 2005a 

14 0.027 362 217 RT EMBSI, 2008b 

14 0.009 362 351 C EMBSI, 2008c 

14 0.002 362 316 RT 

Niimi and 

Palazzo 1986 

14 362 1807 C CITI, 1992 

14 362 2240 C CITI, 1992 

14 362 2354 FHM 

Hall and Oris, 

1991 

14 362 3725 FHM 

Hall and Oris, 

1991 

phenanthrene 14 0.076 365 2208 RT EMBSI, 2001a 

14 0.01 365 407 RT 

Niimi and 

Palazzo 1986 

14 1194 SHM 

Jonsson et al., 

2004 

14 417 SHM 

Jonsson et 

al.,2004 

14 2329 FHM 

Carlson et 

al.,1979 

14 3546 FHM 

Carlson et 

al.,1979 

14 2927 FHM 


1979 

9-methyl 

anthracene 

15 0.004 344 959 RT EMBSI, 2005a 

1-methyl 

phenanthrene 

15 0.019 345 2282 RT EMBSI, 2001a 

2-methyl anthracene 15 0.009 327 158 RT 

Niimi and 

Dookhran, 1989 

9-methyl anthracene 15 0.001 344 315 RT 

Niimi and 


fluoranthene 16 0.032 451 213 435 RT 

EMBSI, 2007b, 

2009b 

16 0.046 451 967 RT EMBSI, 2008b 

57


Arnot 

BCF 

Dietary 

BCF 

Aqueous 

BCF 

Species 

Reference 

16 0.006 451 344 C EMBSI, 2007c 

16 0.002 451 271 RT 

Niimi and 

Palazzo, 1986 

16 451 2771 FHM 


1979 

pyrene 16 0.005 106 965 RT EMBSI, 2005a 

16 106 90 RT 

Niimi and 

Palazzo 1986 

16 106 75 SHM 


2004 

16 106 50 SHM 


2004 

16 106 892 FHM 


1979 

1-phenyl 

Niimi and 

16 0.26 1050 1976 RT 

naphthalene 


1-methylpyrene 17 0.005 97 932 RT EMBSI, 2005a 

benzo(b)fluorene 17 0.041 153 199 RT EMBSI, 2007b 

17 0.024 153 815 RT EMBSI, 2008b 

17 0.01 153 129 C EMBSI, 2007c 

1-methyl-7-(1- 

methylethyl)- 18 0.028 414 275 RT EMBSI, 2008a 

phenanthrene 

m-terphenyl 18 0.05 1034 403 832 RT EMBSI, 2008c 

o-terphenyl* 18 0.2 1034 4197 RT EMBSI, 2007b 

18 0.035 1034 1405 C EMBSI, 2007c 

18 3316 C CITI, 1992 

p-terphenyl 18 64 C CITI, 1992 

Niimi and 


18 0.026 440 260 RT EMBSI, 2007b 

18 0.018 440 403 C EMBSI, 2007c 

triphenylene 18 0.003 440 153 RT 

benzo[a] 

anthracene 

18 0.005 509 895 RT EMBSI, 2005a 

18 0.001 509 90 RT 

Niimi and 

Palazzo, 1986 

chrysene 18 0.016 520 2105 153 RT 

EMBSI, 2006b, 

2009b 

18 0.04 520 615 RT EMBSI, 2008c 

18 520 90 RT 

Niimi and 

Palazzo, 1986 

1-ethylpyrene 18 0.02 112 962 RT EMBSI, 2006b 

9-n 

butylphenanthrene 

2,3,6,7-tetramethyl 

anthracene 

18 0.014 559 1448 RT EMBSI, 2006b 

18 0.018 143 1650 RT EMBSI, 2006b 

58


Arnot 

BCF 

Dietary 

BCF 

Aqueous 

BCF 

Species 

Reference 

6-methylchrysene 19 0.04 357 667 RT EMBSI, 2008b 

7-methylbenz(a) 

anthracene 

19 0.011 357 276 RT EMBSI, 2007b 

19 0.005 357 356 C EMBSI, 2007c 

6-ethylchrysene 20 0.032 323 815 RT EMBSI, 2008b 

benzo(k) 

fluoranthene 

20 0.012 501 271 RT EMBSI, 2007b 

0.009 501 350 C EMBSI, 2007c 

benzo[a]pyrene 20 0.005 139 804 RT EMBSI, 2005a 

0.001 139 90 RT 

Niimi and 

Palazzo, 1986 

perylene 20 0.001 125 RT 

Niimi and 


3- 

methylcholanthene 

21 0.03 46 270 RT EMBSI, 2008a 

dibenzo[a,h] 

anthracene 

22 0.007 385 943 RT EMBSI, 2005a 

benzo[b]chrysene 22 0.018 385 1280 RT EMBSI, 2006b 

benzo(ghi) 

perylene 

22 0.032 31 331 RT EMBSI, 2008a 

indeno-1,2,3-cd 

pyrene 

22 0.029 111 303 RT EMBSI, 2008a 

benzo(c)chrysene 22 0.05 263 141 RT EMBSI, 2008c 

1-octylpyrene 24 0.078 6 87 RT EMBSI, 2006b 


polyaromatic hydrocarbons. BCF (Arnot) is the predicted BCF using Arnot’s equations 

incorporating metabolism (Arnot and Gobas 2003). RT: rainbow trout; C: carp. Bold blue 

entries represent BCF values between the B criterion (2000) and the vB criterion (5000). 

*-compounds are included, but not used to form conclusions; already deemed PBT, or not 

relevant. 

59

10000 


1000 

100 

PAr Dietary BCF 

PAr Aqueous BCF 

B 

vB 

5 10 15 20 25 

Carbon Number 

Figure 59. Experimentally derived fish BCFs for poly-aromatic hydrocarbons (PAr) 


10 

1 

0.1 

0.01 

PAr Dietary BMF 

BMF = 1 

0.001 

10 11 12 13 14 15 16 17 18 19 20 

Carbon Number 

Figure 60. Experimentally derived fish BMFs for poly-aromatic hydrocarbons (PAr) from 


60

Acenaphthene 

Acenaphthylene 

Benz(a)anthracene 

Benzo(a)pyrene 

Benzo(b)fluoranthene 

Benzo(k)fluoranthene 

Benzo(e)pyrene 

Benzo(ghi)perylene 

Chrysene 

Dibenz(ah)anthracene 

Fluoranthene 

Fluorene 

Indeno(123cd)pyrene 

Naphthalene 

Phenanthrene 

Pyrene 

1 

10 -5 10 -4 10 -3 10 -2 10 -1 10 0 10 1 

Fish Field BSAF 

Figure 61. Box plot of fish field biota-sediment accumulation factors (BSAFs) for several 

PAH. Box boundaries represent 25 th and 75 th percentile, the median is indicated by a line 

within each box, and whiskers denote the 10 th and 90 th percentiles of the data. Individual 

PAH data points ranged from n = 10 to n = 53. BSAFs for all of the compounds listed 

were extracted from a database compiled by the US Environmental Protection Agency 

(USEPA, 2008) 

Compound 

TMF (Wan 

et al. 2007) 

TMF 

(Nfon et al. 

2008) 

TMF 

(Takeuchi et 

al. 2009) 

acenaphthylene 0.45 

acenaphthene (1.02) 

benz[a]anthracene 0.2 0.75 (0.83) 

benzo[a]pyrene 0.24 (0.75) (0.80) 

benzo[e]pyrene 0.25 (0.86) (0.57) 

benzo[b]fluoranthene 0.60 

benzo[b+k]fluoranthene 0.27 

benzo[j+k]fluoranthene 0.69 

benzo[k]fluoranthene (0.84) 

benzo[ghi]perylene (0.66) (0.75) (0.72) 

chrysene 0.26 0.66 0.65 

fluoranthene 0.11 0.72 0.60 

fluorene (1.15) 

indeno-123-cd]pyrene (0.81) (0.75) (0.80) 

dibenz[ah]anthracene (0.85) 

perylene 0.24 (0.67) (0.77) 

phenanthrene (0.43) 0.82 0.75 

61

pyrene 0.17 0.74 0.62 

Table 21. Trophic magnification factors for PAH in the marine food webs of Bohai Bay, 

Baltic Sea and Tokyo Bay. Antilogs of the slopes of the regression equations for the 

lipid-based PAH concentrations versus 15 N were used to calculate TMFs. 

62

5.0 Summary of Persistence and Bioaccumulation Assessment 

The results of the persistence and bioaccumulation assessment described in section 3.0 

and 4.0 have been mapped to the HCB scheme presented in section 2.0 (Table 22). 

C# n-P i-P MN DiN PolyN MoAr NMAr DiAr NDiAr PolyAr 

5 

6 

7 

8 B 

9 B 

10 B B 

11 B B 

12 B B B 

13 B B B B B 

14 B B B B B P PB 1 

15 B B B P 

16 B PB PB B P 

17 PB PB B P 

18 PB PB B P P PB 2 

19 P P PB P P P P 

20 P P PB P P P P 

21 P P P PB P P P P 

22 P P P P PB P P P P P 

23 P P P P P P P P P P 



footnotes: 1 = anthracene; 2 = o-terphenyl 

Table 22. Summary of P and B properties of petroleum hydrocarbon blocks 

The results from this analysis indicate C16-C18 di-naphthenic hydrocarbons and C16- 

C22 poly-naphthenic hydrocarbons may fulfill the criteria for P and B. As a result, a 

toxicity assessment for these HCB was performed. While aromatic HCB do not meet the 

PB criteria, two unique aromatic hydrocarbons, anthracene and o-terphenyl, fulfill PB 

criteria based on available data. A previous review of the toxicity of anthracene 

performed by the ECB TC-NES PBT workgroup concluded this substance meets the T 

criterion based on consideration of chronic aquatic toxicity. A toxicity assessment for o- 

terphenyl is included in section 6.0. 

63

Hydrocarbon metabolites have been briefly assessed (Appendix 3) where there was 

potentially considered to be an issue with their PBT properties for certain HCB. This 

assessment indicates that metabolites are not P or B. 

6.0 Toxicity Assessment of HCBs meeting P and B criteria 

To determine if a substance fulfills the toxicity criterion an evaluation of both aquatic 

toxicity and specific hazard classifications is required based on the following triggers: 

The long-term no-observed effect concentration for marine of freshwater organisms is 

less than 10 g/L, or 

the substance is classified as carcinogenic, (R45, R49), mutagenic (R46) , or toxic to 

reproduction (R60, R61), or 

there is other evidence of chronic toxicity (R48) 

A compilation of reliable chronic aquatic toxicity data for aliphatic hydrocarbons is 

provided in Tables 23 and 24 for algae (P. subcapita) and daphnia (D. magna), 

respectively. A comparison of observed chronic toxicity to measured water solubility 

presented in these tables indicates that a chronic toxicity cut-off for algae occurs at a 

solubility limit of ca. 6 g/L while a cut-off for daphnia occurs above 10 g/L. The 

observation that algae are more sensitive to daphnia is consistent with lower estimated 

critical body burden derived using the target lipid model. Critical body burdens for algae 

and daphnia were reported to be 48 and 115 mmol/kg lipid, respectively (McGrath et al. 

2004). 

In the case of the C16 di-naphthenic structures, the water solubility is expected to be too 

low to pose a chronic toxicity concern. This is confirmed by measured slow-stir water 

solubility and chronic test data for 2,7-diisopropyldecalin which shows no chronic algal 

effects are observed at measured exposure concentrations exceeding the solubility limit 

(Table 23). Further, C17 and C18 di-naphthenic hydrocarbons will exhibit even lower 

water solubility and thus based on read across will also not fulfill the chronic aquatic 

toxicity criterion. 

In the case of the C16 poly-naphthenic structures, the water solubility is again expected 

to be too low to pose a chronic aquatic toxicity hazard. This is supported by measured 

slow-stir water solubility and target lipid model predictions for hexadecahydropyrene 

using the PETROTOX model (Redman, 2009). This structure serves as the worst case, 

most water soluble representative structure that occurs in this HCB. Predicted NOECs 

for algae, daphnia and trout are 5, 12 and 7 g/L, respectively. The measured water 

solubility of hexadecahydropyrene (4.7 g/L) falls just below the lowest toxicity value 

for algae. In addition, the measured solubility falls below the empirical chronic solubility 

cut-off for algae of ca. 6 g/L as previously discussed. Therefore, based on available 

data for hexadecahydropyrene and recognizing other C16 poly-naphthenic structures that 

fall into this HCB will exhibit lower aqueous solubilities, it may be concluded that C16 

poly-naphthenics are unlikely to meet the aquatic toxicity criterion. Testing could help to 

verify this conclusion. Given C17 to C22 poly-naphthenic hydrocarbons will exhibit even 

64

lower water solubility, it is possible to conclude, based on read across, that these HCBs 

will also not fulfill the chronic aquatic toxicity criterion. 

Slow-Stir 

Water 

Solubility 

Mean 

Measured 

Exposure 

Test Compound (g/L) (g/L) 

Algal 

Chronic 

Toxicity 

2,6,10-trimethyldodecane 0.3 23 No 

n-octylcyclohexane 1.4 9 No 

2,7 di-isopropyl decalin 1.8 5 No 

2,6- dimethylundecane 2.7 16 No 

hexadecahydropyrene 4.7 not tested 

n-heptylcylohexane 6.2 64 Yes 

2,6-dimethyldecane 11 19 Yes 

2,2,4,6,6- 

pentamehtylheptane 

2,2,4,6,6- 


23 6 No 

23 146 Yes 

2-isopropyl decalin 25 68 Yes 

Reference 

EMBSI, 

2006c 

EMBSI, 

2006d 

EMBSI, 

2009c 

EMBSI, 

2006d 

EMBSI, 

2009p 

EMBSI, 

2006e 

EMBSI, 

2009c 

SafePharm, 

2004a 

Tolls and 

van Dijk, 

2002 

EMBSI, 

2009c 

Table 23. Chronic algal toxicity for selected hydrocarbons that may be used to readacross 

for the C16-18 poly-naphthenic hydrocarbons. 

Slow-Stir 

Water 

Solubility 

Mean 

Measured 

Exposure 

Daphnia 

Chronic 

Test Compound (g/L) (g/L) Toxicity 

n-octylcyclohexane 1.4 3 No 

2,6-dimethylundecane 2.7 2 No 

2,6-dimethylundecane 2.7 3 No 

hexadecahydropyrene 3.8 not tested 

Reference 

EMBSI, 

2006f 

EMBSI, 

2006f 

EMBSI, 

2007d 

EMBSI, 

2009p 

65

2,6-dimethyldecane 11 10 No 

2,2,4,6,6- 


23 13 Yes 

2- isopropyl decalin 25 68 Yes 

EMBSI, 

2007d 

SafePharm, 

2004b 

EMBSI, 

2008d 

Table 24. Chronic daphnia toxicity data for aliphatic hydrocarbons. 

Available information does not indicate di-naphthenic or poly-naphthenic hydrocarbons 

warrant classification as carcinogenic, mutagenic or reproductive toxicant, nor is there 

evidence of other long-term chronic toxicity hazards. For example, cis- and trans-decalin 

which forms the molecular backbone of di-naphthenic hydrocarbons is not classified for 

any of the endpoints used for toxicity assessment. Moreover, highly refined mineral oils, 

which are manufactured by hydrogenating petroleum streams that contain di and polyaromatics 

to form di- and polynaphthenic hydrocarbons, are well recognized to exhibit 

lower health hazards since aromatics are effectively removed. Such oils are not classified 

for any of the endpoints relevant for toxicity assessment (Boogaard et al. 2005). In 

summary, based on available evidence, neither C16-C18 di-naphthenic hydrocarbons nor 

C16-C22 poly-naphthenic hydrocarbons fulfill the criteria for toxicity. 

Reliable chronic toxicity data are not available for o-terphenyl which has a measured 

water solubility of 1.24 mg/l as cited by EPIsuite 4.0. Application of the target lipid 

model provides chronic NOEC predictions for algae, daphnia and trout of 4, 6 and 10 

g/L, respectively. Given the solubility is well above the predicted NOECs coupled with 

the fact that two of the NOEC values are below the toxicity trigger of 10 g/L, it is 

concluded that o-terphenyl likely meets the toxicity criterion and may thus be a PBT 

substance. 

A recent review on terphenyls indicates the p- and m- isomers occur in nature. In 

contrast, o-terphenyls have not been reported to occur naturally (Liu, 2006). In fact, o- 

terphenyl is often used as a spike surrogate in environmental forensic analyses to 

discriminate different hydrocarbon sources because this substance is not present in 

petroleum substances. This anthropogenic origin likely explains the differences in 

observed persistence and bioaccumulation of o-terphenyl versus m- or p-terphenyls. 

Given that o-terphenyl is not present in crude oil feedstocks used to manufacture 

petroleum substances, this structure is not representative and is therefore not expected to 

be present in products at concentrations approaching 0.1% w/w. Therefore, while o- 

terphenyl may fulfill the PBT criteria, this conclusion does not impact PBT decisionmaking 

for petroleum substances. 

7.0 Conclusions 

In order to comply with REACH requirements to perform a PBT assessment on complex 

petroleum substances, a systematic review of the persistence and bioaccumulation 

66

properties of petroleum hydrocarbons was conducted. Consistent with REACH technical 

guidance and Annex XIII criteria, petroleum hydrocarbons were evaluated using a HCB 

scheme that divided these constituents into ten major classes by carbon number. 

Measured data and model predictions were used to develop an evidence-based conclusion 

for each HCB. 

The results of this analysis indicated that within a given HCB class, higher carbon 

numbers tended to fulfill the persistence criterion while lighter carbon numbers 

sometimes met the B criterion. None of the HCBs were found to meet the vB criterion, 

so no HCBs fulfill the vPvB criteria. 

Selected HCBs, namely C16-C18 di-naphthenic hydrocarbons and C16-C22 polynaphthenic 

hydrocarbons, were found to fulfill the P and B criteria. However, these 

blocks will not fulfill the toxicity critieria as they are not soluble enough to pose a 

chronic aquatic hazard and do not exhibit health hazard classifications. Therefore, it is 

concluded that none of the HCBs that comprise complex petroleum substances meet the 

PBT criteria. 

Anthracene has been agreed to fulfill the PBT criteria, so the percentage of this substance 

in complex petroleum substances must be considered. Since anthracene is derived 

principally from pyrogenic rather petrogenic sources, it is present at only trace levels in 

petroleum substances. 2DGC analysis has been used to characterize aliphatic and 

aromatic hydrocarbons in petroleum product categories. For substances with aromatic 

fractions greater than 5%, detailed PAH analysis has been performed. Anthracene 

concentrations determined from these analyses are summarized in Table 25. None of the 

84 samples analysed contained anthracene at greater than 0.1% (or 1000 ppm). 

Category No. of samples No. of 

detects 

Mean 

anthracene 

level 

Range 

Lubricant Base 

2 

< 1.81 – 6.59 

Oils a 9 

2.60 ppm 

ppm 

Unrefined/Acid- 

2 

< 1.71 – 53.2 

6 

11.8 ppm 

Treated Oils 

ppm 

Kerosene d 13 2 # < 1.59 ppm 

Distillate Aromatic 

2 

< 1.79 - 13.2 

Extracts d 6 

3.80 ppm 

ppm 

Treated Distillate 

0 

Aromatic Extracts d 1 

< 1.98 ppm - 

Residual Aromatic 

2 # 

Extracts e 4 

< 1.89 ppm 

Bitumen f 7 3 # < 1.94 ppm 

Heavy Fuel Oils g 9 9 91.1 ppm 0.3 - 425 ppm 

Gas Oils h 16 16 6.97 ppm 0.5 ppm 

Paraffin Waxes i 2 - - 

Petroleum Coke j 6 - - 

Foots Oil k 2 - - 

White Mineral Oils l 4 - - 

Slack Waxes m 6 - - 

Petrolatums n 2 - - 

67

a -EMBSI 2009d; b -EMBSI 2009e; c -EMBSI 2009f; d -EMBSI 2009g; e -EMBSI 2009h; f -EMBSI 2009i g - 

Shell Global Solutions 2008; h - DGMK 2002; i - EMBSI 2009j; j - EMBSI 2009k; k - EMBSI 2009l; l - 

EMBSI 2009m; m - EMBSI 2009n; n - EMBSI 2009o; # - anthracene was detected, but below quantitation 

limit, so reported detection limit was used. 

Table 25. Anthracene content in a variety of representative petroleum products. 

Similarly, while o-terphenyl may fulfill the PBT criteria, this substance is of synthetic 

origin and is therefore not expected to be present in petroleum substances at 

concentrations impacting PBT assessment (Liu, 2006). 

68

8.0 References 

Anonymous (2004). Fish, Dietary Bioaccumulation Study, Basic Protocol, Document 

prepared for the TCNES SUBGROUP ON IDENTIFICATION OF PBT AND vPvB 

SUBSTANCES, January 20, 2004, 14 pp. 

Arnot JA, Gobas F. (2003). A generic QSAR for assessing the bioaccumulation potential 

of organic chemicals in aquatic food webs. QSAR and Combinatorial Science 22:337- 

345. 

Boogaard P, Dmytrasz B, King D, Waterman S, Wennington J. (2005). Classification and 

labelling of petroleum substances according to the EU dangerous substances directive 

(CONCAWE recommendations –July 2005), CONCAWE Report no 6/05, Brussels, 

Belgium, 184 pp. 

Broman D, Naf C, Lundbergh I, Zebuhr Y. (1990). An in situ study on the distribution, 

biotransformation and flux of polycyclic aromatic hydrocarbons (PAHs) in an aquatic 

food chan (Seston-Mytilus edulis L.-Somateria mollissima L.) from the Baltic: An 

ecotoxicological perspective. Environmental Toxicology and Chemistry. 9: 429-442. 

Carlson RM, Oyler AR, Gerhart EH, Caple R, Welch KJ, Kopperman HL, Bodenner D, 

Swanson D. (1979). Implications to the aquatic environment of polynuclear aromatic 

hydrocarbons liberated from northern great plans coal. U.S. EPA Environmental 

Research Laboratory (EPA 600/3-79-093). 

Chemicals Inspection and Testing Institute. (1992). Bioaccumulation and Biodegradation 

Data on Existing Chemicals Based on the CSCL Japan. Tokyo, Japan 

D’Adamo R, Pelosi S, Trotta P, Sansone G. (1997). Bioaccumulation and 

biomagnification of polycyclic aromatic hydrocarbons in aquatic organisms. Marine 

Chemistry. 56:45-49. 

DGMK – German Society for Petroleum and Coal Science and Technology (2002). 

DGMK Research Report 583: Composition of Diesel Fuels from German Refineries. 

Hamburg, Germany. 

European Chemicals Agency (2008a). Technical Guidance Document for Preparing the 

Chemical Safety Assessment RIP 3.2-2 Chapter R.7c: Endpoint Specific Summary. 

European Chemicals Agency (2008b). Technical Guidance Document for Preparing the 

Chemical Safety Assessment RIP 3.2-2 Chapter R.11: PBT and vPvB assessment. 

European Union (2006). REGULATION (EC) No 1907/2006 OF THE EUROPEAN 

PARLIAMENT AND OF THE COUNCIL of 18 December 2006 concerning the 

Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH), 

establishing a European Chemicals Agency, amending Directive 1999/45/EC and 

repealing Council Regulation (EEC) No 793/93 and Commission Regulation (EC) No 

1488/94 as well as Council Directive 76/769/EEC and Commission Directives 

91/155/EEC,93/67/EEC, 93/105/EC and 2000/21/EC. Official Journal of the European 

Union, L396, 849 pp. 

69

EMBSI (2001a). Fish, dietary bioaccumulation test, study no. 100047AB. ExxonMobil 

Biomedical Sciences Inc. Annandale, NJ. 

EMBSI (2001b). Fish, dietary bioaccumulation study, study no. 175047. ExxonMobil 


EMBSI (2003). Fish, dietary bioaccumulation study, study no. 100047E. ExxonMobil 


EMBSI (2004a). Fish, dietary bioaccumulation study, study no. 0400947. ExxonMobil 


EMBSI (2004b). Fish, aqueous bioaccumulation study, study no. 0409544. ExxonMobil 


EMBSI (2004c). Fish, aqueous bioaccumulation study, study no. 9942644. ExxonMobil 


EMBSI (2005a). Fish, dietary bioaccumulation test, study no. 100047P. ExxonMobil 




EMBSI (2005c). Fish, aqueous bioaccumulation test, study no. 0523644. ExxonMobil 


EMBSI (2005d). Fish, dietary bioaccumulation study, study no. 0523747. ExxonMobil 


EMBSI (2005e). Fish, dietary bioaccumulation study, study no. 0531047. ExxonMobil 




EMBSI (2006b). Fish, dietary bioaccumulation test, study no. 0681647. ExxonMobil 


EMBSI (2006c). Alga, Growth Inhibition Test, study no. 0545267. ExxonMobil 


EMBSI (2006d). Alga, Growth Inhibition Test, study no. 0545067. ExxonMobil 


EMBSI (2006e). Alga, Growth Inhibition Test, study no. 0545567. ExxonMobil 


EMBSI (2006f). Daphnia magna, Reproduction Test, study no. 0545046. ExxonMobil 




EMBSI (2007b). Fish, dietary bioaccumulation study, study no. 0796347T. ExxonMobil 


70

EMBSI (2007c). Fish, dietary bioaccumulation study, study no. 0796347C. ExxonMobil 


EMBSI (2007d). Daphnia magna, Reproduction Test, study no. 0545446. ExxonMobil 






EMBSI (2008c). Fish, dietary bioaccumulation study, study no. 0818447. ExxonMobil 


EMBSI (2008d). Daphnia magna, Reproduction Test, study no. 0704946. ExxonMobil 


EMBSI (2009a) (in preparation). Primary biodegradation in seawater. Covers 

CONCAWE Study #'s 0822469, 0822569, 0949869. ExxonMobil Biomedical Sciences, 

Inc., Annandale, NJ. 

EMBSI (2009b) (in preparation). Alga growth inhibition test. Study no 0704967. 

ExxonMobil Biomedical Sciences, Inc., Annandale, NJ. 

EMBSI (2009c). Fish, dietary bioaccumulation study, study no. 0818447. ExxonMobil 


EMBSI (2009d). CONCAWE Product Compositional Characterization. Report 09 TP 17. 

ExxonMobil Biomedical Sciences Inc. Annandale, NJ. 

EMBSI (2009e). CONCAWE Product Compositional Characterization. Report 09 TP 16. 


EMBSI (2009f). CONCAWE Product Compositional Characterization. Report 09 TP 20. 


EMBSI (2009g). CONCAWE Product Compositional Characterization. Report 09 TP 19. 


EMBSI (2009h). CONCAWE Product Compositional Characterization. Report 09 TP 18. 


EMBSI (2009i). CONCAWE Product Compositional Characterization. Report 09 TP 15. 


EMBSI (2009j). CONCAWE Product Compositional Characterization. Report 09 TP 10. 


EMBSI (2009k). CONCAWE Product Compositional Characterization. Report 09 TP 22. 


EMBSI (2009l). CONCAWE Product Compositional Characterization. Report 09 TP 14. 


EMBSI (2009m). CONCAWE Product Compositional Characterization. Report 09 TP 

11. ExxonMobil Biomedical Sciences Inc. Annandale, NJ. 

71

EMBSI (2009n). CONCAWE Product Compositional Characterization. Report 09 TP 12. 


EMBSI (2009o). CONCAWE Product Compositional Characterization. Report 09 TP 13. 


EMBSI (2009p). Slow-Stir Water Solubility of Hexadecahydropyrene. Study 0951584. 

ExxonMobil Biomedical Sciences, Inc., Annandale, NJ. 

Gobas F, Arnot J. (2003) Categorization of organic substances on the domestic 

substances list for bioaccumulation potential. Report for Environment Canada. Burnaby: 

Simon Fraser University. 116 p. 

Hall AT. Oris JT. (1991). Anthracene reduces reproductive potential and is maternally 

transferred during long-term exposure in fathead minnows. Aquatic Toxicology. 19:249- 

264. 

Howard P, Meylan W, Aronson D, Stiteler W, Tunkel J, Comber M, Parkerton TF. 

(2005). A new biodegradation prediction model specific to petroleum hydrocarbons. 

Environmental Toxicology and Chemistry. 24:1847–1860. 

Jonsson G, Bechmann RK, Bamber SD, Baussant T. 2004. Bioconcentration, 

biotransformation, and elimination of polycyclic aromatic hydrocarbons in sheepshead 

minnows (Cyprinodon variegatus) exposed to contaminated seawater. Environmental 

Toxicology and Chemistry 23:1538-1548. 

Liu K-K. (2006). Natural Terphenyls: Developments since 1877. Chemical Reviews. 

106:2209-2223. 

McGrath JA, Parkerton TG, Di Toro DM. (2004). Application of the narcosis target lipid 

model to algal toxicity and deriving predicted no effect concentrations. Environmental 

Toxicology and Chemistry. 23:2503–2517 

Nfon E, Cousins IT, Broman D. (2008). Biomagnification of organic pollutants in benthic 

and pelagic marine food chains from the Baltic Sea. Science of the Total Environment. 

397:190-204. 

Niimi AJ, Dookhran GP. (1989). Dietary absorption efficiencies and elimination rates of 

polycyclic aromatic hydrocarbons (PAHs) in rainbow trout (Salmo gairdneri). 

Environmental Toxicology and Chemistry. 8:719-722. 

Niimi A, Palazzo V. (1986). Biological half-lives of eight polycyclic aromatic 

hydrocarbons (PAHs) in rainbow trout (Salmo gairdneri). Water Research. 20:503-507. 

Parkerton TF, Arnot J, Woodburn K, Weisbrod A, Russom C, Hoke R, Traas T, Bonnell 

M, Burkhard L, Lampi MA. (2008). Guidance for evaluating in-vivo fish 

bioaccumulation data. Integrated Environmental Assessment and Management. 4:139– 

155. 

Prince RC, Parkerton TG, Lee C. (2007). The pimary aerobic biodegradation of gasoline 

hydrocarbons. Environmental Science and Technology. 41:3316-3321. 

Prince RC, Haitmanek C, Lee C. (2008).The primary aerobic biodegradation of biodiesel 

B20, Chemosphere, 7:1446-145. 

72

Prince RC, Walters CC. (2007). Biodegradation of oil hydrocarbons and its implications 

for source identification. In Environmental Forensics: Spill Oil Fingerprinting and 

Source Identification, Wang Z, Stout SA (Eds.), Elsevier, New York, NY, USA pp 349- 

379. 

Quann RJ, Jaffe SJ. (1992). Structure-oriented lumping: Describing the chemistry of 

complex hydrocarbon mixtures. Indian Journal of Chemical Research. 31: 2488-2497. 

Quann RJ. (1998). Modeling the chemistry of complex petroleum mixtures. 

Environmental Health Perspectives. 106(S6):1441-1448. 

Redman A. (2009). PETROTOX. Version 3.04. CONCAWE, Brussels, Belgium. 

http://concawe.org/DocShareNoFrame/Common/GetFile.asp?PortalSource=958&DocID 

=9588&mfd=off&pdoc=1 

SafePharm Laboratories (2004a) 2,2,4,6,6-pentamethylheptane Daphnia magna 

reproduction Test; SPL Project No. 599/089; Study Sponsor: BP Chemicals Ltd., 

Middlesex, LN. 

SafePharm Laboratories (2004b) 2,2,4,6,6-pentamethylheptane algal inhibition test; SPL 

Project No. 599/090; Study Sponsor: BP Chemicals Ltd., Middlesex, LN. 

Sarpal AS, Kapur GS, Mukherjee S, Jain SK. (1997). Characterization by 13 C NMR 

spectroscopy of base oils produced by different processes. Fuel. 76:931-937. 

Sijm DTHM, van der Linde A. (1995) Size-dependent bioconcentration kinetics of 

hydrophobic organic chemicals in fish based on diffusive mass transfer and allometric 

relationships. Environmental Science and Technology. 29:2769-2777. 

Shell Global Solutions. (2008) CONCAWE Risk Assessment Project: Detailed 

Compositional Analysis of Heavy Fuel Oil (HFO) Samples. Report GS.08.50772. 

Chester, England. 

Takeuchi I, Miyoshi N, Mizukawa K, Takada H, Ikemoto T, Omori K, Tsuchiya K. 

(2009). Biomagnification profiles of polycyclic aromatic hydrocarbons, alkylphenols and 

polychlorinated biphenyls in Tokyo Bay elucidated by 13C and 15N isotope ratios as 

guides to trophic web structure. Marine Pollution Bulletin 58:663-671. 

Tolls J, van Dijk J. (2002). Bioconcentration of n-dodecane and its highly branched 

isomer 2,2,4,6,6-pentamethylheptane in fathead minnows. Chemosphere 47, 1049-1057. 

US Environmental Protection Agency. (2008). Biota-Sediment Accumulation Factor Data 

Set. http://www.epa.gov/med/Prods_Pubs/bsaf.zip. Accessed 19 February. 

US Environmental Protection Agency. (2009). EPISuite v4.0. 

http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm 

Wan Y, Jin X, Hu J, Jin F. (2007). Trophic dilution of polycyclic aromatic hydrocarbons 

(PAHs) in a marine food web from Bohai Bay, North China. Environmental Science and 

Technology 41:3109-3114. 

Weisbrod AV, Woodburn KB, Koelmans AA, Parkerton TF, McElroy AE, Borga K. 

(2009). Evaluation of bioaccumulation using in vivo laboratory and field studies. 

Integrated Environmental Assessment and Management. 5:598–623. 

73

Yakata N, Sudo Y, Tadokoro H. (2006). Influence of dispersants on bioconcentration 

factors of seven organic compounds with different lipophilicities and structures. 

Chemosphere 64:1885-1891. 

74

Appendix 1. Hydrocarbon structures in the CONCAWE library. 

Class C # Name SMILES 

nP 4 n-butane CCCC 

nP 5 n-pentane CCCCC 

nP 6 n-hexane CCCCCC 

nP 16 n-Hexadecane CCCCCCCCCCCCCCCC 

nP 7 n-heptane CCCCCCC 

nP 17 n-Heptadecane CCCCCCCCCCCCCCCCC 

nP 8 n-Octane CCCCCCCC 

nP 18 n-Octadecane CCCCCCCCCCCCCCCCCC 

nP 9 n-Nonane CCCCCCCCC 

nP 19 n-Nonadecane CCCCCCCCCCCCCCCCCCC 

nP 10 n-Decane CCCCCCCCCC 

nP 11 n-Undecane CCCCCCCCCCC 

nP 12 n-Dodecane CCCCCCCCCCCC 

nP 13 n-Tridecane CCCCCCCCCCCCC 

nP 14 n-Tetradecane CCCCCCCCCCCCCC 

nP 15 n-Pentadecane CCCCCCCCCCCCCCC 

nP 20 n-Eicosane CCCCCCCCCCCCCCCCCCCC 

nP 21 n-Heneicosane CCCCCCCCCCCCCCCCCCCCC 

nP 22 n-Docosane CCCCCCCCCCCCCCCCCCCCCC 

nP 23 n-Tricosane CCCCCCCCCCCCCCCCCCCCCCC 

nP 23 n-Hexacosane CCCCCCCCCCCCCCCCCCCCCCCCCC 

nP 24 n-Tetracosane CCCCCCCCCCCCCCCCCCCCCCCC 

nP 25 n-Pentacosane CCCCCCCCCCCCCCCCCCCCCCCCC 

nP 27 n-Heptacosane CCCCCCCCCCCCCCCCCCCCCCCCCCC 

nP 28 n-Octacosane CCCCCCCCCCCCCCCCCCCCCCCCCCCC 

nP 29 n-Nonacosane CCCCCCCCCCCCCCCCCCCCCCCCCCCCC 

nP 30 n-Triacontane CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 

nP 31 n-Hentriacontane 

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC 

C 

nP 32 n-Dotriacontane 


CC 

nP 34 Tetratriacontane 


CCCC 

nP 36 Hexatriacontane 


CCCCCC 

iP 4 2-methylpropane CC(C)C 

iP 5 2-methylbutane CC(C)CC 

iP 6 2-methylpentane CC(C)CCC 

iP 7 2,4dimethylpentane CC(C)CC(C)C 

iP 7 2,3,3-trimethylbutane CC(C)C(C)(C)C 

iP 7 2-methylhexane CC(C)CCCC 

iP 8 3-Methylheptane CCC(C)CCCC 

iP 8 2-Methylheptane CC(C)CCCCC 

iP 9 2,6-Dimethylheptane CC(C)CCCC(C)C 

iP 9 2,3-Dimethylheptane CC(C)C(C)CCCC 

iP 9 2,4-Dimethylheptane CC(C)CC(C)CCC 

iP 9 2,5-Dimethylheptane CC(C)CCC(C)CC 

75

iP 9 2-Methyloctane CC(C)CCCCCC 

iP 9 3-Methyloctane CCC(C)CCCCC 

iP 9 2-Ethylheptane CC(CC)CCCCC 

iP 9 3-Ethylheptane CCC(CC)CCCC 

iP 10 2,6-Dimethyloctane CC(C)CCCC(C)CC 

iP 10 2,3-Dimethyloctane CC(C)C(C)CCCCC 

iP 10 2,4-Dimethyloctane CC(C)CC(C)CCCC 

iP 10 2,5-Dimethyloctane CC(C)CCC(C)CCC 

iP 10 2-Methylnonane CC(C)CCCCCCC 

iP 10 3-Methylnonane CCC(C)CCCCCC 

iP 10 2-Ethyloctane CC(CC)CCCCCC 

iP 10 3-Ethyloctane CCC(CC)CCCCC 

iP 11 2,6-Dimethylnonane CC(C)CCCC(C)CCC 

iP 11 2,3-Dimethylnonane CC(C)C(C)CCCCCC 

iP 11 2,4-Dimethylnonane CC(C)CC(C)CCCCC 

iP 11 2,5-Dimethylnonane CC(C)CCC(C)CCCC 

iP 11 2,6-Diethylheptane CC(CC)CCCC(CC)C 

iP 11 2,4-Diethylheptane CC(CC)CC(CC)CCC 

iP 11 2-Methyldecane CC(C)CCCCCCCC 

iP 11 3-Methyldecane CCC(C)CCCCCCC 

iP 11 2-Ethylnonane CC(CC)CCCCCCC 

iP 11 3-Ethylnonane CCC(CC)CCCCCC 

iP 12 2,6-Dimethyldecane CC(C)CCCC(C)CCCC 

iP 12 2,3-Dimethyldecane CC(C)C(C)CCCCCCC 

iP 12 2,4-Dimethyldecane CC(C)CC(C)CCCCCC 

iP 12 2,5-Dimethyldecane CC(C)CCC(C)CCCCC 

iP 12 2,6-Diethyloctane CC(CC)CCCC(CC)CC 

iP 12 2,4-Diethyloctane CC(CC)CC(CC)CCCC 

iP 12 2-Methylundecane CCCCCCCCCC(C)C 

iP 12 3-Methylundecane CCCCCCCCC(C)CC 

iP 12 2-Ethyldecane CC(CC)CCCCCCCC 

iP 12 3-Ethyldecane CCC(CC)CCCCCCC 

iP 12 2,2,4,6,6-pentamethylheptane C(C)(C)(C)CC(C)CC(C)(C)C 

iP 12 3,3,6,6-Tetramethyloctane CCC(C)(C)CCC(C)(C)CC 

iP 13 2,6-Dimethylundecane CC(C)CCCC(C)CCCCC 

iP 13 2,3-Dimethylundecane CC(C)C(C)CCCCCCCC 

iP 13 2,4-Dimethylundecane CC(C)CC(C)CCCCCCC 

iP 13 2,5-Dimethylundecane CC(C)CCC(C)CCCCCC 

iP 13 2,6-Diethylnonane CC(CC)CCCC(CC)CCC 

iP 13 2,6-Dipropylheptane CC(CCC)CCCC(CCC)C 

iP 13 2,4-Diethylnonane CC(CC)CC(CC)CCCCC 

iP 13 2,4-Dipropylheptane CC(CCC)CC(CCC)CCC 

iP 13 2-Methyldodecane CCCCCCCCCCC(C)C 

iP 13 3-Methyldodecane CCCCCCCCCC(C)CC 

iP 13 2-Ethylundecane CCCCCCCCCC(CC)C 

iP 13 3-Ethylundecane CCCCCCCCC(CC)CC 

iP 13 2,2,3-trimethyldecane CCCCCCCC(C)C(C)(C)C 

iP 14 2,3,4,5-Tetramethyldecane CC(C)C(C)C(C)C(C)CCCCC 

iP 14 2,4,6,8-Tetramethyldecane CC(C)CC(C)CC(C)CC(C)CC 

iP 14 2,6,10-Trimethylundecane CC(C)CCCC(C)CCCC(C)C 

76

iP 14 2,4,10-Trimethylundecane CC(C)CC(C)CCCCCC(C)C 

iP 14 2,4,8-Trimethylundecane CC(C)CC(C)CCCC(C)CCC 

iP 14 2,4,6-Trimethylundecane CC(C)CC(C)CC(C)CCCCC 

iP 14 2,3,4-Trimethylundecane CC(C)C(C)C(C)CCCCCCC 

iP 14 2,3,5-Trimethylundecane CC(C)C(C)CC(C)CCCCCC 

iP 14 2,6-Dimethyldodecane CC(C)CCCC(C)CCCCCC 

iP 14 2,3-Dimethyldodecane CC(C)C(C)CCCCCCCCC 

iP 14 2,4-Dimethyldodecane CC(C)CC(C)CCCCCCCC 

iP 14 2,5-Dimethyldodecane CC(C)CCC(C)CCCCCCC 

iP 14 2,6-Diethyldecane CC(CC)CCCC(CC)CCCC 

iP 14 2,6-Dipropyloctane CC(CCC)CCCC(CCC)CC 

iP 14 2,4-Diethyldecane CC(CC)CC(CC)CCCCCC 

iP 14 2,4-Dipropyloctane CC(CCC)CC(CCC)CCCC 

iP 14 2-Methyltridecane CCCCCCCCCCCC(C)C 

iP 14 3-Methyltridecane CCCCCCCCCCC(C)CC 

iP 14 2-Ethyldodecane CCCCCCCCCCC(CC)C 

iP 14 3-Ethyldodecane CCCCCCCCCC(CC)CC 

iP 15 2,4,6,8-Tetramethylundecane CC(C)CC(C)CC(C)CC(C)CCC 

iP 15 2,4,6,10-Tetramethyldodecane CC(C)CC(C)CC(C)CCCC(C)C 

iP 15 2,6,10-Trimethyldodecane CC(C)CCCC(C)CCCC(C)CC 

iP 15 2,4,10-Trimethyldodecane CC(C)CC(C)CCCCCC(C)CC 

iP 15 2,4,8-Trimethyldodecane CC(C)CC(C)CCCC(C)CCCC 

iP 15 2,4,6-Trimethyldodecane CC(C)CC(C)CC(C)CCCCCC 

iP 15 2,3,4-Trimethyldodecane CC(C)C(C)C(C)CCCCCCCC 

iP 15 2,3,5-Trimethyldodecane CC(C)C(C)CC(C)CCCCCCC 

iP 15 2,6-Dimethyltridecane CC(C)CCCC(C)CCCCCCC 

iP 15 2,3-Dimethyltridecane CC(C)C(C)CCCCCCCCCC 

iP 15 2,4-Dimethyltridecane CC(C)CC(C)CCCCCCCCC 

iP 15 2,5-Dimethyltridecane CC(C)CCC(C)CCCCCCCC 

iP 15 2-Methyltetradecane CCCCCCCCCCCCC(C)C 

iP 15 3-Methyltetradecane CCCCCCCCCCCC(C)CC 

iP 15 2-Ethyltridecane CCCCCCCCCCCC(CC)C 

iP 15 3-Ethyltridecane CCCCCCCCCCC(CC)CC 

iP 16 

2,4,6,8,10- 

Pentamethylundecane 

CC(C)CC(C)CC(C)CC(C)CC(C)C 

iP 16 2,4,6,8-Tetramethyldodecane CC(C)CC(C)CC(C)CC(C)CCCC 

iP 16 2,4,6,10-Tetramethyldodecane CC(C)CC(C)CC(C)CCCC(C)CC 

iP 16 2,6,10-Trimethyltridecane CC(C)CCCC(C)CCCC(C)CCC 

iP 16 2,4,10-Trimethyltridecane CC(C)CC(C)CCCCCC(C)CCC 

iP 16 2,4,8-Trimethyltridecane CC(C)CC(C)CCCC(C)CCCCC 

iP 16 2,4,6-Trimethyltridecane CC(C)CC(C)CC(C)CCCCCCC 

iP 16 2,3,4-Trimethyltridecane CC(C)C(C)C(C)CCCCCCCCC 

iP 16 2,3,5-Trimethyltridecane CC(C)C(C)CC(C)CCCCCCCC 

iP 16 2-Ethyltetradecane CCCCCCCCCCCCC(CC)C 

iP 16 3-Ethyltetradecane CCCCCCCCCCCC(CC)CC 

iP 16 2-Methylpentadecane CCCCCCCCCCCCCC(C)C 

iP 16 

2,2,4,4,5,5,7,7- 

Octamethyloctane 

CC(C(CC(C)(C)C)(C)C)(CC(C)(C)C)C 

iP 16 

2,2,4,4,6,8,8- 

heptamethylnonane 

CC(C)(C)CC(C)CC(C)(C)CC(C)(C)C 

iP 17 2-Methylhexadecane CCCCCCCCCCCCCCC(C)C 

77

iP 17 3-Methylhexadecane CCCCCCCCCCCCCC(C)CC 

iP 17 2,6,10-Trimethyltetradecane CCCCC(C)CCCC(C)CCCC(C)C 

iP 18 2-Methylheptadecane CCCCCCCCCCCCCCCC(C)C 

iP 18 3-Methylheptadecane CCCCCCCCCCCCCCC(C)CC 

iP 18 2,6,10-Trimethylpentadecane CC(CCCC(CCCC(CCCCC)C)C)C 

iP 19 2-Methyloctadecane CCCCCCCCCCCCCCCCC(C)C 

iP 19 3-Methyloctadecane CCCCCCCCCCCCCCCC(C)CC 

iP 19 Pristane C(CCCC(CCCC(CCCC(C)C)C)C)(C)C 

iP 20 2-Methylnonadecane CCCCCCCCCCCCCCCCCC(C)C 

iP 20 3-Methylnonadecane CCCCCCCCCCCCCCCCC(C)CC 

iP 20 10-Methylnonadecane CCCCCCCCCC(C)CCCCCCCCC 

iP 20 Phytane CCC(C)CCCC(C)CCCC(C)CCCC(C)C 

iP 20 

2,6,11,15- 

Tetramethylhexadecane 

CC(C)CCCC(C)CCCCC(C)CCCC(C)C 

iP 21 2-Methyleicosane CCCCCCCCCCCCCCCCCCC(C)C 

iP 21 

2,6,10,14- 

Tetramethylheptadecane CC(CCCC(CCCC(CCCC(CCC)C)C)C)C 

iP 22 2-Methylheneicosane CCCCCCCCCCCCCCCCCCCC(C)C 

iP 22 

2,6,10,14- 

Tetramethyloctadecane 

CCCCC(C)CCCC(C)CCCC(C)CCCC(C)C 

iP 23 2-Methyldocosane CCCCCCCCCCCCCCCCCCCCC(C)C 

iP 23 

2,6,10,14- 

Tetramethylnonadecane 

CC(CCCC(CCCC(CCCC(CCCCC)C)C)C)C 

iP 24 2-Methyltricosane CCCCCCCCCCCCCCCCCCCCCC(C)C 

iP 24 

2,6,10,14,18- 

Pentamethylnonadecane CC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C 

iP 25 

2,6,10,14,18- 

Pentamethyleicosane 

CC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CC 

iP 26 2-Methylpentacosane CCCCCCCCCCCCCCCCCCCCCCCC(C)C 

iP 26 

2,6,10,14,18- 

Pentamethylheneicosane CC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC 

iP 27 2-Methylhexacosane CCCCCCCCCCCCCCCCCCCCCCCCC(C)C 

2,6,10,14,18- 

CC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC 

iP 27 Pentamethyldocosane 

C 

iP 28 2-Methylheptacosane CCCCCCCCCCCCCCCCCCCCCCCCCC(C)C 

2,6,10,14,18- 


iP 28 Pentamethyltricosane 

CC 

iP 28 2,11Dimethyl-16ethyltricosane CCCCCCCC(CC)CCCCC(C)CCCCCCCCC(CC)C 

iP 29 2-Methyloctacosane CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C 

2,6,10,14,18,22- 


iP 29 Hexamethyltricosane 

C(C)C 

iP 30 2-Methylnonacosane 

CCCCCCCCCCCCCCCCCCCCCCCCCCCC(C) 

C 

iP 30 Squalane 

C(CCCC(CCCC(CCCCC(CCCC(CCCC(C)C)C)C) 

C)C)(C)C 

iP 30 2-methylOctacosane 

CC(C)CCCCCCCCCCCCCCCCCCCCCCCCCC 

C 

iP 31 2-methylTetratriacontane 

CC(C)CCCCCCCCCCCCCCCCCCCCCCCCCC 

CC 

MN 5 Cyclopentane C(CCC1)C1 

MN 6 Cyclohexane C(CCCC1)C1 

MN 6 Methylcyclopentane C(CCC1)(C1)C 

MN 7 Methylcyclohexane C(CCCC1)(C1)C 

78

MN 7 1,2-Dimethylcyclopentane CC1C(C)CCC1 

MN 7 1,3-Dimethylcyclopentane CC1CC(C)CC1 

MN 7 Ethylcyclopentane CCC1CCCC1 

MN 8 1,1,3-trimethylcyclopentane C1CC(C)(C)CC1C 

MN 8 1,4-Dimethylcyclohexane CC1CCC(C)CC1 

MN 8 1,2-Dimethylcyclohexane CC1C(C)CCCC1 

MN 8 1,3-Dimethylcyclohexane CC1CC(C)CCC1 

MN 8 Ethylcyclohexane CCC1CCCCC1 

MN 8 1,2,3-Trimethylcyclopentane CC1C(C)C(C)CC1 

MN 8 1,2,4-Trimethylcyclopentane CC1C(C)CC(C)C1 

MN 8 1,2-Diethylcyclopentane CC1C(CC)CCC1 

MN 8 1,3-Diethylcyclopentane CC1CC(CC)CC1 

MN 8 n-Propylcyclopentane CCCC1CCCC1 

MN 8 Isopropylcyclopentane C(CC1)CC1C(C)C 

MN 9 1,1,3-trimethylcyclohexane C1CCC(C)(C)CC1C 

MN 9 1,2,3-Trimethylcyclohexane CC1C(C)C(C)CCC1 

MN 9 1,2,4-Trimethylcyclohexane CC1C(C)CC(C)CC1 

MN 9 1,2,5-Trimethylcyclohexane CC1C(C)CCC(C)C1 

MN 9 1-Methyl-2-ethylcyclohexane CC1C(CC)CCCC1 

MN 9 1-Methyl-3-ethylcyclohexane CC1CC(CC)CCC1 

MN 9 1-Methyl-4-ethylcyclohexane CC1CCC(CC)CC1 

MN 9 n-Propylcyclohexane CCCC1CCCCC1 

MN 9 

1,2,3,4- 

Tetramethylcyclopentane CC1C(C)C(C)C(C)C1 

MN 9 

1,2,3,4,5- 

Pentamethylcyclopentane CC1C(C)C(C)C(C)C1 

MN 9 n-Butylcyclopentane CCCCC1CCCC1 

MN 9 iso-Butylcyclopentane CC(C)CC1CCCC1 

MN 9 iso-Propylcyclohexane C(C)CC1CCCCC1 

MN 10 

1,2,3,4- 

Tetramethylcyclohexane 

CC1C(C)C(C)C(C)CC1 

MN 10 

1,2,3,5- 

Tetramethylcyclohexane 

CC1C(C)C(C)CC(C)C1 

MN 10 1-Methylpropylcyclohexane C1CCCCC1C(C)CC 

MN 10 1,2-Diethylcyclohexane CCC1C(CC)CCCC1 

MN 10 1,3-Diethylcyclohexane CCC1CC(CC)CCC1 

MN 10 1,4-Diethylcyclohexane CCC1CCC(CC)CC1 

MN 10 1-Methyl-2-propylcyclohexane CC1C(CCC)CCCC1 

MN 10 1-Methyl-3-propylcyclohexane CC1CC(CCC)CCC1 

MN 10 1-Methyl-4-propylcyclohexane CC1CCC(CCC)CC1 

MN 10 n-Butylcyclohexane C(CCCC1)(C1)CCCC 

MN 10 2-Methylbutylcyclopentane CCC(C)CC1CCCC1 

MN 10 1,2-Dipropylcyclopentane CCC1C(CCC)CCC1 

MN 10 1,3-Dipropylcyclopentane CCC1CC(CCC)CC1 

MN 10 n-Pentylcyclopentane CCCCCC1CCCC1 

MN 10 n-Pentylcyclohexane CCCC1CCCCCC1 

MN 10 iso-Pentylcyclopentane CC(C)CCC1CCCC1 

MN 10 iso-Butylcyclohexane C(CCCC1)(C1)CC(C)C 

MN 10 iso-Pentylcyclopentane C(CC1)CC1CCC(C)C 

MN 11 

1,2,3,4,5- 

Pentamethylcyclohexane CC1C(C)C(C)C(C)C(C)C1 

79

MN 11 1-Methylbutylcyclohexane C1CCCCC1C(C)CCC 

MN 11 2-Methylbutylcyclohexane C1CCCCC1CC(C)CC 

MN 11 1-Methyl-2-butylcyclohexane CC1C(CCCC)CCCC1 

MN 11 1-Methyl-3-butylcyclohexane CC1CC(CCCC)CCC1 

MN 11 1-Methyl-4-butylcyclohexane CC1CCC(CCCC)CC1 

MN 11 2-Methylpentylcyclopentane CCCC(C)CC1CCCC1 

MN 11 n-Hexylcyclopentane CCCCCCC1CCCC1 

MN 11 iso-Hexylcyclopentane CC(C)CCCC1CCCC1 

MN 11 iso-Pentylcyclohexane C1CCCCC1CCC(C)C 

MN 12 

1,2,3,4,5,6- 

Hexamethylcyclohexane 

CC1C(C)C(C)C(C)C(C)C1C 

MN 12 1,2,3-Triethylcyclohexane CCC1C(CC)C(CC)CCC1 

MN 12 1,2,4-Triethylcyclohexane CCC1C(CC)CC(CC)CC1 

MN 12 1,2,5-Triethylcyclohexane CCC1C(CC)CCC(CC)C1 

MN 12 1-Methyl-2-pentylcyclohexane CC1C(CCCCC)CCCC1 

MN 12 1-Methyl-3-pentylcyclohexane CC1CC(CCCCC)CCC1 

MN 12 1-Methyl-4-pentylcyclohexane CC1CCC(CCCCC)CC1 

MN 12 n-Hexylcyclohexane C(CCCC1)(C1)CCCCCC 

MN 12 2-Methylhexylcyclopentane CCCCC(C)CC1CCCC1 

MN 12 1-Methylpentylcyclopentane C1CCCCC1C(C)CCCC 

MN 12 2-Methylpentylcyclopentane C1CCCCC1CC(C)CCC 

MN 12 3-Methylpentylcyclopentane C1CCCCC1CCC(C)CC 

MN 12 n-Heptylcyclopentane CCCCCCCC1CCCC1 

MN 12 iso-Heptylcyclopentane CC(C)CCCCC1CCCC1 

MN 12 iso-Hexylcyclohexane C(CCCC1)(C1)CCCC(C)C 

MN 13 1-Methylhexylcyclohexane C1CCCCC1C(C)CCCCC 

MN 13 2-Methylhexylcyclohexane C1CCCCC1CC(C)CCCC 

MN 13 3-Methylhexylcyclohexane C1CCCCC1CCC(C)CCC 

MN 13 4-Methylhexylcyclohexane C1CCCCC1CCCC(C)CC 

MN 13 1-Methyl-2-hexylcyclohexane CC1C(CCCCCC)CCCC1 

MN 13 1-Methyl-3-hexylcyclohexane CC1CC(CCCCCC)CCC1 

MN 13 1-Methyl-4-hexylcyclohexane CC1CCC(CCCCCC)CC1 

MN 13 n-Heptylcyclohexane C(CCCC1)(C1)CCCCCCC 

MN 13 2,4-Dimethylpentylcyclopentane C1CCCCC1CC(C)CC(C)C 

MN 13 2-Methylheptylcyclopentane CCCCCC(C)CC1CCCC1 

MN 13 n-Octylcyclopentane CCCCCCCCC1CCCC1 

MN 13 iso-Octylcyclopentane CC(C)CCCCCC1CCCC1 

MN 13 iso-Heptylcyclohexane C(CCCC1)(C1)CCCCC(C)C 

MN 14 1,2,3,4-Tetraethylcyclohexane CCC1C(CC)C(CC)C(CC)CC1 

MN 14 1,2,3,5-Tetraethylcyclohexane CCC1C(CC)C(CC)CC(CC)C1 

MN 14 2,4-Dimethylhexylcyclohexane C1CCCCC1CC(C)CC(C)CC 

MN 14 1-Methylheptylcyclohexane C1CCCCC1C(C)CCCCCC 

MN 14 2-Methylheptylcyclohexane C1CCCCC1CC(C)CCCCC 

MN 14 3-Methylheptylcyclohexane C1CCCCC1CCC(C)CCCC 

MN 14 4-Methylheptylcyclohexane C1CCCCC1CCCC(C)CCC 

MN 14 5-Methylheptylcyclohexane C1CCCCC1CCCCC(C)CC 

MN 14 1-Methyl-2-heptylcyclohexane CC1C(CCCCCCC)CCCC1 

MN 14 1-Methyl-3-heptylcyclohexane CC1CC(CCCCCCC)CCC1 

MN 14 1-Methyl-4-heptylcyclohexane CC1CCC(CCCCCCC)CC1 

MN 14 n-Octylcyclohexane C(CCCC1)(C1)CCCCCCCC 

MN 14 2-Methyloctylcyclopentane CCCCCCC(C)CC1CCCC1 

80

MN 14 n-Nonylcyclopentane CCCCCCCCCC1CCCC1 

MN 14 iso-Nonylcyclopentane CC(C)CCCCCCC1CCCC1 

MN 14 iso-Octylcyclohexane C(CCCC1)(C1)CCCCCC(C)C 

MN 15 2,4-Dimethylheptylcyclohexane C1CCCCC1CC(C)CC(C)CCC 

MN 15 1-Methyloctylcyclohexane C1CCCCC1C(C)CCCCCCC 

MN 15 2-Methyloctylcyclohexane C1CCCCC1CC(C)CCCCCC 

MN 15 3-Methyloctylcyclohexane C1CCCCC1CCC(C)CCCCC 

MN 15 4-Methyloctylcyclohexane C1CCCCC1CCCC(C)CCCC 

MN 15 5-Methyloctylcyclohexane C1CCCCC1CCCCC(C)CCC 

MN 15 6-Methyloctylcyclohexane C1CCCCC1CCCCCC(C)CC 

MN 15 n-Nonylcyclohexane C(CCCC1)(C1)CCCCCCCCC 

MN 15 2-Methylnonylcyclopentane CCCCCCCC(C)CC1CCCC1 

MN 15 n-Decylcyclopentane CCCCCCCCCCC1CCCC1 

MN 15 iso-Decylcyclopentane CC(C)CCCCCCCC1CCCC1 

MN 15 iso-Nonylcyclohexane C(CCCC1)(C1)CCCCCCC(C)C 

MN 16 2,4-Dimethyloctylcyclohexane C1CCCCC1CC(C)CC(C)CCCC 

MN 16 1-Methylnonylcyclohexane C1CCCCC1C(C)CCCCCCCC 

MN 16 2-Methylnonylcyclohexane C1CCCCC1CC(C)CCCCCCC 

MN 16 3-Methylnonylcyclohexane C1CCCCC1CCC(C)CCCCCC 

MN 16 4-Methylnonylcyclohexane C1CCCCC1CCCC(C)CCCCC 

MN 16 5-Methylnonylcyclohexane C1CCCCC1CCCCC(C)CCCC 

MN 16 6-Methylnonylcyclohexane C1CCCCC1CCCCCC(C)CCC 

MN 16 7-Methylnonylcyclohexane C1CCCCC1CCCCCCC(C)CC 

MN 16 n-Decylcyclohexane C(CCCC1)(C1)CCCCCCCCCC 

MN 16 2-Methyldecylcyclopentane CCCCCCCCC(C)CC1CCCC1 

MN 16 n-Undecylcyclopentane CCCCCCCCCCCC1CCCC1 

MN 16 iso-Undecylcyclopentane CC(C)CCCCCCCCC1CCCC1 

MN 16 iso-Decylcyclohexane C(CCCC1)(C1)CCCCCCCC(C)C 

MN 17 2,4-Dimethylnonylcyclohexane C1CCCCC1CC(C)CC(C)CCCCC 

MN 17 n-Undecylcyclohexane C(CCCC1)(C1)CCCCCCCCCCC 

MN 17 n-Dodecylcyclopentane CCCCCCCCCCCCC1CCCC1 

MN 17 1-cyclohexyl4,8dimethylnonane C1CCCCC1CCCC(C)CCCC(C)C 

MN 17 

1,5-Dimethyl-1-(3,7- 

dimethylheptyl)cyclohexane C1C(C)CCC(C)C1CCC(C)CCC(C)C 

MN 18 n-Dodecylcyclohexane C(CCCC1)(C1)CCCCCCCCCCCC 

MN 18 n-Tridecylcyclopentane CCCCCCCCCCCCCC1CCCC1 

MN 18 1-cyclohexyl4,8dimethyldecane C1CCCCC1CCCC(C)CCCC(C)CC 

MN 18 

1,5-Dimethyl-1-(3,7- 

dimethyloctyl)cyclohexane C1C(C)CCC(C)C1CCC(C)CCCC(C)C 

MN 19 n-Tridecylcyclohexane C(CCCC1)(C1)CCCCCCCCCCCCC 

MN 19 n-Tetradecylcyclopentane CCCCCCCCCCCCCCC1CCCC1 

MN 19 

1-cyclohexyl-4,8- 

dimethylundecane 

C1CCCCC1CCCC(C)CCCC(C)CCC 

MN 19 

1,5-Dimethyl-1-(3,7- 

dimethylnonyl)cyclohexane C1C(C)CCC(C)C1CCC(C)CCCC(C)CC 

MN 20 n-Tetradecylcyclohexane C(CCCC1)(C1)CCCCCCCCCCCCCC 

MN 20 n-Pentadecylcyclopentane CCCCCCCCCCCCCCCC1CCCC1 

MN 20 


dimethyldodecane 

C1CCCCC1CCCC(C)CCCC(C)CCCC 

MN 20 

1,5-Dimethyl-1-(3,7- 

dimethyldecyl)cyclohexane C1C(C)CCC(C)C1CCC(C)CCCC(C)CCC 

MN 21 n-Pentadecylcyclohexane C(CCCC1)(C1)CCCCCCCCCCCCCCC 

81

MN 21 n-Hexadecylcyclopentane CCCCCCCCCCCCCCCCC1CCCC1 

MN 21 


dimethyltridecane 

C1CCCCC1CCCC(C)CCCC(C)CCCCC 

MN 21 

1,5-Dimethyl-1-(3,7- 

dimethylundecyl)cyclohexane C1C(C)CCC(C)C1CCC(C)CCCC(C)CCCC 

MN 22 n-Hexadecylcyclohexane C(CCCC1)(C1)CCCCCCCCCCCCCCCC 

MN 22 n-Heptadecylcyclopentane CCCCCCCCCCCCCCCCCC1CCCC1 

MN 22 

1- 

cyclohexyl4,8,12trimethyltrideca 

ne 

C1CCCCC1CCCC(C)CCCC(C)CCCC(C)C 

MN 22 

1,5-Dimethyl-1-(3,7- 

dimethyldodecyl)cyclohexane C1C(C)CCC(C)C1CCC(C)CCCC(C)CCCCC 

MN 23 n-Heptadecylcyclohexane C(CCCC1)(C1)CCCCCCCCCCCCCCCCC 

MN 23 n-Octadecylcyclopentane CCCCCCCCCCCCCCCCCCC1CCCC1 

MN 23 

1- 

cyclohexyl4,8,12trimethyltetrad 

ecane 

C1CCCCC1CCCC(C)CCCC(C)CCCC(C)CC 

MN 23 

1,5-Dimethyl-1-(3,7,11- 

trimethyldodecyl)cyclohexane C1C(C)CCC(C)C1CCC(C)CCCC(C)CCCC(C)C 

MN 24 n-Octadecylcyclohexane C(CCCC1)(C1)CCCCCCCCCCCCCCCCCC 

MN 24 n-Nonadecylcyclopentane CCCCCCCCCCCCCCCCCCCC1CCCC1 

MN 24 

1-cyclohexyl-4,8,12- 

trimethylpentadecane 

C1CCCCC1CCCC(C)CCCC(C)CCCC(C)CCC 

MN 24 

1,5-Dimethyl-1-(3,7,11- 

trimethyltridecyl)cyclohexane C1C(C)CCC(C)C1CCC(C)CCCC(C)CCCC(C)CC 

MN 25 n-Nonadecylcyclohexane C(CCCC1)(C1)CCCCCCCCCCCCCCCCCCC 

MN 25 n-Eicosylcyclopentane CCCCCCCCCCCCCCCCCCCCC1CCCC1 

MN 25 


trimethylhexadecane 

C1CCCCC1CCCC(C)CCCC(C)CCCC(C)CCCC 

1,5-Dimethyl-1-(3,7,11- 

C1C(C)CCC(C)C1CCC(C)CCCC(C)CCCC(C)CC 

MN 25 trimethyltetradecyl)cyclohexane C 

MN 26 n-Eicosylcyclohexane C(CCCC1)(C1)CCCCCCCCCCCCCCCCCCCC 

MN 26 n-Heneicosylcyclopentane CCCCCCCCCCCCCCCCCCCCCC1CCCC1 

MN 26 


trimethylheptadecane 

C1CCCCC1CCCC(C)CCCC(C)CCCC(C)CCCCC 

1,5-Dimethyl-1-(3,7,11- 

trimethylpentadecyl)cyclohexan C1C(C)CCC(C)C1CCC(C)CCCC(C)CCCC(C)CC 

MN 26 e 

CC 

MN 27 n-Heneicosylcyclohexane C(CCCC1)(C1)CCCCCCCCCCCCCCCCCCCCC 

MN 27 n-Docosylcylcyclopentane CCCCCCCCCCCCCCCCCCCCCCC1CCCC1 

1-cyclohexyl-4,8,12,16- 

C1CCCCC1CCCC(C)CCCC(C)CCCC(C)CCCC(C 

MN 27 tetramethylheptadecane 

)C 

1,5-Dimethyl-1-(3,7,11- 

trimethylhexyldecyl)cyclohexan 

e 

MN 27 


CCC 

MN 28 n-Docosylcylcyclohexane 

C(CCCC1)(C1)CCCCCCCCCCCCCCCCCCCCC 

C 

MN 28 n-Tricosyllcyclopentane CCCCCCCCCCCCCCCCCCCCCCCC1CCCC1 



MN 28 tetramethyloctadecane 

)CC 

1,5-Dimethyl-1-(3,7,11,15-tetramethylhexyldecyl)cyclohexane 


MN 28 

CC(C)C 

MN 29 n-Tricosyllcyclohexane 


CC 

MN 29 n-Tetracosylcyclopentane CCCCCCCCCCCCCCCCCCCCCCCCC1CCCC1 

82

MN 29 

MN 29 

MN 30 n-Tetracosylcyclohexane 


tetramethylnonadecane 

1,5-Dimethyl-1-(3,7,11,15-tetramethylheptyldecyl)cyclohexane 

MN 30 n-Pentacosylcyclopentane 


MN 30 tetramethyleicosane 

1,5-Dimethyl-1-(3,7,11,15-tetramethyloctadecyl)cyclohexane 

MN 30 

MN 31 n-Pentacosylcyclohexane 


MN 31 tetramethylheneicosane 

1,5-Dimethyl-1-(3,7,11,15-tetramethylnonadecyl)cyclohexane 

MN 31 

MN 32 n-Hexacosylcyclohexane 


MN 32 pentamethylheneicosane 


MN 34 pentamethyltricosane 

1-(3-methyltetraacosyl)-2- 

MN 34 methylcyclohexane 


MN 36 pentamethylpentacosane 

1-(3-methylhexacosyl)-2- 

MN 36 methylcyclohexane 


)CCC 


CC(C)CC 


CCC 

CCCCCCCCCCCCCCCCCCCCCCCCCC1CCCC 

1 


)CCCC 


CC(C)CCC 


CCCC 


)CCCCC 


CC(C)CCCC 


CCCCC 


)CCCC(C)C 


)CCCC(C)CCC 


)CCCC(C)CCC 


)CCCC(C)CCCCC 


)CCCC(C)CCCCC 

DN 7 Bicyclo[2.2.1]heptane C1CC2CC1CC2 

DN 8 dicyclopentane C1CCC2CCCC12 

DN 8 Bicyclo[2,2,2]octane C1CC2CCC1CC2 

DN 9 methyldicyclopentane C1C(C)CC2CCCC12 

DN 9 hexahydroindane C1CCC2CCCC2C1 

DN 9 cis-Bicyclo[4.3.0]nonane C(CC1CC2)CC1CC2 

DN 9 trans-Bicyclo[4.3.0]nonane C(CC1CC2)CC1CC2 

DN 9 2-Ethylbicyclo[2.2.1]heptane C(C(C1)C2)C(C1)C2CC 

DN 10 Decalin C1CCC2CCCCC2C1 

DN 10 methylhexahydroindane C1C(C)CC2CCCC2C1 

DN 11 2-Methyldecalin C1CCC2CCC(C)CC2C1 

DN 12 2,3-Dimethyldecalin C1CCC2CC(C)C(C)CC2C1 

DN 12 2,4-Dimethyldecalin C1CCC2C(C)CC(C)CC2C1 

DN 12 2,5-Dimethyldecalin C1CC(C)C2CCC(C)CC2C1 

DN 12 2,6-Dimethyldecalin C1C(C)CC2CCC(C)CC2C1 

DN 12 2,7-Dimethyldecalin CC1CCC2CCC(C)CC2C1 

DN 12 2,8-Dimethyldecalin C1CCC2CCC(C)CC2C1C 

DN 12 2-Ethyldecalin C1CCC2CCC(CC)CC2C1 

DN 12 isopropylhexaydroindane C1C(C(C)C)CC2CCCC2C1 

DN 13 2,3,4-Trimethyldecalin C1CCC2C(C)C(C)C(C)CC2C1 

DN 13 2,3,5-Trimethyldecalin C1CC(C)C2CC(C)C(C)CC2C1 

DN 13 2,3,6-Trimethyldecalin C1C(C)CC2CC(C)C(C)CC2C1 

DN 13 2,3,7-Trimethyldecalin CC1CCC2CC(C)C(C)CC2C1 

DN 13 2,3,8-Trimethyldecalin C1CCC2CC(C)C(C)CC2C1C 

83

DN 13 2,4,5-Trimethyldecalin C1CC(C)C2C(C)CC(C)CC2C1 

DN 13 2,4,6-Trimethyldecalin C1C(C)CC2C(C)CC(C)CC2C1 

DN 13 2,4,7-Trimethyldecalin CC1CCC2C(C)CC(C)CC2C1 

DN 13 2,4,8-Trimethyldecalin C1CCC2C(C)CC(C)CC2C1C 

DN 13 2,5,6-Trimethyldecalin C1C(C)C(C)C2CCC(C)CC2C1 

DN 13 2,5,7-Trimethyldecalin CC1CC(C)C2CCC(C)CC2C1 

DN 13 2,5,8-Trimethyldecalin C1CC(C)C2CCC(C)CC2C1C 

DN 13 2,6,7-Trimethyldecalin CC1C(C)CC2CCC(C)CC2C1 

DN 13 2,6,8-Trimethyldecalin C1C(C)CC2CCC(C)CC2C1C 

DN 13 2-Isopropyldecalin C1CCC2CCC(C(C)C)CC2C1 

DN 13 2,7,8-Trimethyldecalin C1CCC2CCC(C)CC2C1CC 

DN 13 2-n-Propyldecalin C1CCC2CCC(CCC)CC2C1 

DN 14 2,3,4,5-Tetramethyldecalin C1CC(C)C2C(C)C(C)C(C)CC2C1 

DN 14 2,3,4,6-Tetramethyldecalin C1C(C)CC2C(C)C(C)C(C)CC2C1 

DN 14 2,3,4,7-Tetramethyldecalin CC1CCC2C(C)C(C)C(C)CC2C1 

DN 14 2,3,4,8-Tetramethyldecalin C1CCC2C(C)C(C)C(C)CC2C1C 

DN 14 2,4,5,6-Tetramethyldecalin C1C(C)C(C)C2C(C)CC(C)CC2C1 

DN 14 2,4,5,7-Tetramethyldecalin CC1CC(C)C2C(C)CC(C)CC2C1 

DN 14 2,4,5,8-Tetramethyldecalin C1CC(C)C2C(C)CC(C)CC2C1C 

DN 14 2,5,6,7-Tetramethyldecalin CC1C(C)C(C)C2CCC(C)CC2C1 

DN 14 2,5,6,8-Tetramethyldecalin C1C(C)C(C)C2CCC(C)CC2C1C 

DN 14 2,6,7,8-Tetramethyldecalin CC1C(C)CC2CCC(C)CC2C1C 

DN 14 2-Isobutyldecalin C1CCC2CCC(CC(C)C)CC2C1 

DN 14 2-n-Butyldecalin C1CCC2CCC(CCCC)CC2C1 

DN 14 isopentylhexaydroindane C1C(CC(C)CC)CC2CCCC2C1 

DN 15 2,3,4,5,6-Pentamethyldecalin C1C(C)C(C)C2C(C)C(C)C(C)CC2C1 

DN 15 2,3,4,5,7-Pentamethyldecalin CC1CC(C)C2C(C)C(C)C(C)CC2C1 

DN 15 2,3,4,5,8-Pentamethyldecalin C1CC(C)C2C(C)C(C)C(C)CC2C1C 

DN 15 2,4,5,6,7-Pentamethyldecalin CC1C(C)C(C)C2C(C)CC(C)CC2C1 

DN 15 2,4,5,6,8-Pentamethyldecalin C1C(C)C(C)C2C(C)CC(C)CC2C1C 

DN 15 2,5,6,7,8-Pentamethyldecalin CC1C(C)C(C)C2CCC(C)CC2C1C 

DN 15 2-Isopentyldecalin C1CCC2CCC(CCC(C)C)CC2C1 

DN 15 2-n-Pentyldecalin C1CCC2CCC(CCCCC)CC2C1 

DN 16 2,3,4,5,6,7-Hexamethyldecalin CC1C(C)C(C)C2C(C)C(C)C(C)CC2C1 

DN 16 2,3,4,5,6,8-Hexamethyldecalin C1C(C)C(C)C2C(C)C(C)C(C)CC2C1C 

DN 16 2,3,4,5,7,8-Hexamethyldecalin CC1CC(C)C2C(C)C(C)C(C)CC2C1C 

DN 16 2,3,4,5,7,8-Hexamethyldecalin CC1C(C)CC2C(C)C(C)C(C)CC2C1C 

DN 16 2-Isohexyldecalin C1CCC2CCC(CCCC(C)C)CC2C1 

DN 16 2-n-Hexyldecalin C1CCC2CCC(CCCCCC)CC2C1 

DN 16 isoheptylhexahydroindane C1C(CC(C)CCCC)CC2CCCC2C1 

DN 17 

2,3,4,5,6,7,8- 

Heptamethyldecalin 

CC1C(C)C(C)C2C(C)C(C)C(C)CC2C1C 

DN 17 2-Isoheptyldecalin C1CCC2CCC(CCCCC(C)C)CC2C1 

DN 17 2-n-Heptyldecalin C1CCC2CCC(CCCCCCC)CC2C1 

DN 17 2,4-dimethylpentyl-2-decalin C1CCC2CCC(CC(C)CC(C)C)CC2C1 

DN 18 Octamethyldecalin CC1C(C)C(C)C2C(C)C(C)C(C)C(C)C2C1C 

DN 18 

2,6-dimethylheptylhexahydroindane 

C1C(CC(C)CCCC(C)C)CC2CCCC2C1 

DN 18 2,4dimethylhexyl-2-decalin C1CCC2CCC(CC(C)CC(C)CC)CC2C1 

DN 19 2,4dimethylheptyl-2-decalin C1CCC2CCC(CC(C)CC(C)CCC)CC2C1 

DN 20 2,6-dimethylnonyl- C1C(CC(C)CCCC(C)CCC)CC2CCCC2C1 

84

hexahydroindane 

DN 20 2,4-dimethyloctyl-2-decalin C1CCC2CCC(CC(C)CC(C)CCCC)CC2C1 

DN 21 2,4,6trimethyloctyl-2-decalin C1CCC2CCC(CC(C)CC(C)CC(C)CC)CC2C1 

DN 22 

2,6,9-trimethyldecylhexahydroindane 

C1C(CC(C)CCCC(C)CCC(C)C)CC2CCCC2C1 

DN 22 2,4,6trimethylnonyl-2-decalin C1CCC2CCC(CC(C)CC(C)CC(C)CCC)CC2C1 

DN 23 2,4,6t-rimethyldecyl-2-decalin C1CCC2CCC(CC(C)CC(C)CC(C)CCCC)CC2C1 

DN 24 

2,6,9-trimethyldodecylhexahydroindane 

C1C(CC(C)CCCC(C)CCC(C)CCC)CC2CCCC2C1 

DN 24 2,4,6-trimethylundecyl-2-decalin C1CCC2CCC(CC(C)CC(C)CC(C)CCCCC)CC2C1 

DN 24 4,8-dimethyldodecyl-2-decalin C1CCC2CCC(CCCC(C)CCCC(C)CCCC)CC2C1 

DN 25 2,4,6trimethyldodecyl-2-decalin 

C1CCC2CCC(CC(C)CC(C)CC(C)CCCCCC)CC2 

C1 

2,6,9,12-tetramethyltridecylhexahydroindane 

C2C1 

C1C(CC(C)CCCC(C)CCC(C)CCC(C)C)CC2CCC 

DN 26 

2,4,6,10,14- 

C1CCC2CCC(CC(C)CC(C)CC(C)CC(C)CC(C)C) 

DN 26 pentamethylundecyl-2-decalin CC2C1 

2,4,6,10,14- 

C1CCC2CCC(CC(C)CC(C)CC(C)CC(C)CC(C)CC 

DN 27 pentamethyldodecyl-2-decalin )CC2C1 

2,6,9,14tetramethylpentadecylh C1C(CC(C)CCCC(C)CCC(C)CCC(C)CCC)CC2C 

DN 28 exahydroindane 

CCC2C1 

2,4,6,10,14pentamethyltridecyl- C1CCC2CCC(CC(C)CC(C)CC(C)CC(C)CC(C)CC 

DN 28 2-decalin 

C)CC2C1 

2,4,6,10tetramethyl-tetradecyl- C1CCC2CCC(CC(C)CC(C)CC(C)CC(C)CC(C)CC 

DN 29 2-decalin 

CC)CC2C1 

4,8,12-trimethylhexyldecyl-2- C1CCC2CCC(CCCC(C)CCCC(C)CCCC(C)CCCC 

DN 29 decalin 

)CC2C1 

2,6,9,14tetramethylhexadecylhexahydroindane 

2CCCC2C1 

C1C(CC(C)CCCC(C)CCC(C)CCC(C)CCCCC)CC 

DN 30 

2,4,6,10,14-pentamethyldodecyl-2-decalin 

CCC)CC2C1 


DN 30 

2,4,6,10-tetramethylhexyldecyl-2-decalin 

CCCC)CC2C1 


DN 31 

2-(2,6,10,14-tetramethylhexadecyl)-9-methyl-decalin 

CC)CC2C1C 

C1CCC2CCC(CC(C)CCCC(C)CCCC(C)CCCC(C) 

DN 31 

2-(2,6,10,14-tetramethylhexadecyl)-9-ethyl-decalin 

CC)CC2C1CC 


DN 32 

2-(2,6,10,14-tetramethylhexadecyl)-9-propyl-decalin 

CC)CC2C1CCC 


DN 33 

2-(2,6,10,14-tetramethylhexadecyl)-9-butyl-decalin 

CC)CC2C1CCCC 


DN 34 

2-(2,6,10,14-tetramethylhexadecyl)-9-pentyl-decalin 

CC)CC2C1CCCCC 


DN 35 

2-(2,6,10,14-tetramethylhexadecyl)-9-heptyl-decalin 

CC)CC2C1CCCCCCC 


DN 37 

2-(2,6,10,14-tetramethylhexadecyl)-9-nonyl-decalin 


DN 39 

CC)CC2C1CCCCCCCCC 

PN 10 Adamantane C(CC(CC1CC23)C3)(C1)C2 

PN 11 2-methyl-Adamantane C(CC(CC1CC23)C3)(C1)C2C 

PN 12 2-ethyl-Adamantane C(CC(CC1CC23)C3)(C1)C2CC 

PN 12 n-phenylcyclohexane c(cccc1)(c1)C(CCCC2)C2 

PN 13 1,3,5-Trimethyladamantane C(C(CC1(C2)C)CC23C)C(C1)(C3)C 

85

PN 14 Hydro-Phenanthrene C1CCC2CCC3CCCCC3C2C1 

PN 15 Methyl-hydro-Phenanthrene C1CCC2CCC3CC(C)CCC3C2C1 

PN 16 Ethyl-hydro-Phenanthrene C1CCC2CCC3CC(CC)CCC3C2C1 

PN 17 iso-Propyl-hydro-Phenanthrene C1CCC2CCC3CC(C(C)C)CCC3C2C1 

PN 17 n-Propyl-hydro-Phenanthrene C1CCC2CCC3CC(CCC)CCC3C2C1 

PN 18 Hydro-Chrysene C1CCC2CCC3C4CCCCC4CCC3C2C1 

PN 18 iso-Butyl-hydro-Phenanthrene C1CCC2CCC3CC(CC(C)C)CCC3C2C1 

PN 18 n-Butyl-hydro-Phenanthrene C1CCC2CCC3CC(CCCC)CCC3C2C1 

PN 19 Methyl-hydro-Chrysene C1CCC2CCC3C4CCC(C)CC4CCC3C2C1 

PN 19 iso-Pentyl-hydro-Phenanthrene C1CCC2CCC3CC(CCC(C)C)CCC3C2C1 

PN 19 n-Pentyl-hydro-Phenanthrene C1CCC2CCC3CC(CCCCC)CCC3C2C1 

PN 19 (5alpha)-Androstane 

C(CC1)[C@](CC[C@@]2([C@@](CCC3)([C@@] 

4(C3)H)C)H)(C)[C@@]1([C@@]2(CC4)H)H 

PN 20 Ethyl-hydro-Chrysene C1CCC2CCC3C4CCC(CC)CC4CCC3C2C1 

PN 20 iso-Hexyl-hydro-Phenanthrene C1CCC2CCC3CC(CCCC(C)C)CCC3C2C1 

PN 20 n-Hexyl-hydro-Phenanthrene C1CCC2CCC3CC(CCCCCC)CCC3C2C1 

PN 21 iso-Propyl-hydro-Chrysene C1CCC2CCC3C4CCC(C(C)C)CC4CCC3C2C1 

PN 21 n-Propyl-hydro-Chrysene C1CCC2CCC3C4CCC(CCC)CC4CCC3C2C1 

PN 21 

2-methylhexyl-hydro- 

Phenanthrene 

C1CCC2CCC3CC(CC(C)CCCC)CCC3C2C1 

PN 21 (5beta)-Pregnane 

C(CCC1)[C@]([C@@]1(CC2)H)(C)[C@@](CC[C 

@@]3([C@H]4CC)C)([C@@]2([C@@]3(CC4)H) 

H)H 

PN 22 Hydro-Picene C1CCC2CCC3C4CCC5CCCCC5C4CCC3C2C1 

PN 22 iso-Butyl-hydro-Chrysene C1CCC2CCC3C4CCC(CC(C)C)CC4CCC3C2C1 

PN 22 n-Butyl-hydro-Chrysene C1CCC2CCC3C4CCC(CCCC)CC4CCC3C2C1 

2-methylhepyl-hydro- 

PN 22 Phenanthrene 

C1CCC2CCC3CC(CC(C)CCCCC)CCC3C2C1 

C1CCC2CCC3C4CCC5CC(C)CCC5C4CCC3C2 

C1 

PN 23 Methyl-hydro-Picene 

2,6-dimethylheptyl-hydro- 


C1CCC2CCC3CC(CC(C)CCCC(C)C)CCC3C2C1 

PN 23 2-methylbutyl-hydro-Chrysene 

C1CCC2CCC3C4CCC(CC(C)CC)CC4CCC3C2C 

1 

PN 24 Ethyl-hydro-Picene 

C1CCC2CCC3C4CCC5CC(CC)CCC5C4CCC3C 

2C1 

2,6-dimethyloctyl-hydro- 

C1CCC2CCC3CC(CC(C)CCCC(C)CC)CCC3C2C 


1 

PN 24 2-methylpentyl-hydro-Chrysene 

C1CCC2CCC3C4CCC(CC(C)CCC)CC4CCC3C2 

C1 

2,6-dimethylnonyl-hydro- C1CCC2CCC3CC(CC(C)CCCC(C)CCC)CCC3C2 


C1 

PN 25 2-methylhexyl-hydro-Chrysene 

C1CCC2CCC3C4CCC(CC(C)CCCC)CC4CCC3C 

2C1 

PN 25 propyl-hydro-Picene 

C1CCC2CCC3C4CCC5CC(CCC)CCC5C4CCC3 

C2C1 

1,2-hydronaphthenohydrochrysene 

4CC3)CC2 

C12CCCCC1C3C(C(CCC5C4CCC6C5CCCC6)C 

PN 26 

2,6-dimethyldecyl-hydro- C1CCC2CCC3CC(CC(C)CCCC(C)CCCC)CCC3 


C2C1 

PN 26 2-methylhepyl-hydro-Chrysene 

C1CCC2CCC3C4CCC(CC(C)CCCCC)CC4CCC3 

C2C1 

PN 26 isobutyl-hydro-Picene 

C1CCC2CCC3C4CCC5CC(CC(C)C)CCC5C4CC 

C3C2C1 

PN 26 Hydro-dibenzo(b,k)chrysene 

C5C6CCCCC6CC2C5C1C(C3CC4C(CC3CC1)C 

CCC4)CC2 

PN 26 n-Butyldimethyl-hydroperylene 

CCCCC2CC1CC(C)CC4C1C(C3CC(C)CC5C3C4 

CCC5)C2 

PN 27 2,6-dimethylundecyl-hydro- C1CCC2CCC3CC(CC(C)CCCC(C)CCCCC)CCC 

86

PN 27 

Phenanthrene 

2,6-dimethylheptyl-hydro- 

Chrysene 

PN 27 isopenyl-hydro-Picene 

1,2-hydronaphtheno-8-methylhydrochrysene 

PN 27 

PN 27 Cholestane 

2,6,10-trimethylundecyl-hydro- 


2,6-dimethyloctyl-hydro- 

PN 28 Chrysene 

PN 28 isohexyl-hydro-Picene 

1,2-(1-ethyl-hydronaphtheno)- 

PN 28 hydrochrysene 

Hydro-benzo(p)naphtho(1,8,7- 

PN 28 ghi)chrysene 

2,6,10-trimethyldodecyl-hydro- 


2,6-dimethylnonyl-hydro- 


PN 29 isoheptyl-hydro-Picene 

1,2-(1-propyl-hydronaphtheno)- 


Dimethylheptylhydrobenzo(a)pyrene 

PN 29 

2,6,10-trimethyltridecyl-hydro- 


2,6-dimethyldecyl-hydro- 


PN 30 isooctyl-hydro-Picene 

1,2-(1-isobutyl- 

hydronaphtheno)- 


PN 30 Isohexylhydro-benzo-perylene 

2,6,10-trimethylteradecyl-hydro- 


2,6-dimethylundecyl-hydro- 


PN 32 2,6dimethylhexyl-hydro-Picene 

2-ethyl,6-methylundecyl-hydrochrysene 

PN 32 

2-(3,6-dimethylheptyl)-6- 

PN 32 methylhydro-chrysene 

2-propyl,6-methylundecylhydro-chrysene 

PN 33 

2-isopentyl,6-ethylundecylhydro-chrysene 

PN 36 

2-(3,6-dimethylheptyl)-6-butyl- 

10-(2methylhexyl)hydrochrysene 

PN 41 

3C2C1 

C1CCC2CCC3C4CCC(CC(C)CCCC(C)C)CC4CC 

C3C2C1 

C1CCC2CCC3C4CCC5CC(CC(C)CC)CCC5C4C 

CC3C2C1 

C12CC(C)CCC1C3C(C(CCC5C4CCC6C5CCCC6 

)C4CC3)CC2 

C(CCC1)[C@]([C@]1(CC2)H)(C)[C@@](CC[C@ 

@]3([C@]4([C@@H](CCCC(C)C)C)H)C)([C@@] 

2([C@@]3(CC4)H)H)H 

C1CCC2CCC3CC(CC(C)CCCC(C)CCCC(C)C)C 

CC3C2C1 

C1CCC2CCC3C4CCC(CC(C)CCCC(C)CC)CC4C 

CC3C2C1 

C1CCC2CCC3C4CCC5CC(CC(C)CCC)CCC5C4 

CCC3C2C1 

C12CC(CC)CCC1C3C(C(CCC5C4CCC6C5CCC 

C6)C4CC3)CC2 

C1CC6CCCC7C6C2C(C4C7C3C(C5C4CCCC5) 

CCCC3)CCCC12 

C1CCC2CCC3CC(CC(C)CCCC(C)CCCC(C)CC) 

CCC3C2C1 

C1CCC2CCC3C4CCC(CC(C)CCCC(C)CCC)CC4 

CCC3C2C1 

C1CCC2CCC3C4CCC5CC(CC(C)CCCC)CCC5C 

4CCC3C2C1 

C12CC(CCC)CCC1C3C(C(CCC5C4CCC6C5CC 

CC6)C4CC3)CC2 

C(C(C(CC1)CCC2)C2CC3)(C3CC(C4CCC5CC(C 

)CCCC(C)C)C5)C14 

C1CCC2CCC3CC(CC(C)CCCC(C)CCCC(C)CCC 

)CCC3C2C1 

C1CCC2CCC3C4CCC(CC(C)CCCC(C)CCCC)C 

C4CCC3C2C1 

C1CCC2CCC3C4CCC5CC(CC(C)CCCCC)CCC5 

C4CCC3C2C1 

C12CC(CC(C)C)CCC1C3C(C(CCC5C4CCC6C5 

CCCC6)C4CC3)CC2 

CCC(C)CCC6CC2C(CC6)C1CCCC4C1C(C3CCC 

C5C3C4CCC5)C2 

C1CCC2CCC3CC(CC(C)CCCC(C)CCCC(C)CCC 

C)CCC3C2C1 

C1CCC2CCC3C4CCC(CC(C)CCCC(C)CCCCC) 

CC4CCC3C2C1 

C1CCC2CCC3C4CCC5CC(CC(C)CCCC(C)CC)C 

CC5C4CCC3C2C1 

C1CCC2CCC3C4CCC(CC(CC)CCCC(C)CCCCC 

)CC4CCC3C2C1 

C4C(CCC(C)CCC(C)CCCCC)CC3CC(C)C2C1CC 

CCC1CCC2C3C4 

C1CCC2CCC3C4CCC(CC(CCC)CCCC(C)CCCC 

C)CC4CCC3C2C1 

C1CCC2CCC3C4CCC(CC(CC(C)CC)CCCC(CC) 

CCCCC)CC4CCC3C2C1 

C4C(CCC(C)CCC(C)CCCCC)CC3CC(CCCC)C2 

C1CC(CC(C)CCC)CCC1CCC2C3C4 

87

MAr 6 Benzene c1ccccc1 

MAr 7 Toluene c1ccccc1C 

MAr 8 1-Methyl-3-ethylbenzene Cc1cc(CC)ccc1 

MAr 8 n-Propylbenzene c1ccccc1CCC 

MAr 8 1,2-Diethylbenzene CCc1c(CC)cccc1 

MAr 8 iso-Propylbenzene c1ccccc1C(C)C 

MAr 9 Ethylbenzene c1ccccc1CC 

MAr 9 1,2,3-Trimethylbenzene Cc1c(C)c(C)ccc1 

MAr 9 1,4-Dimethylbenzene Cc1ccc(C)cc1 

MAr 9 1,2,5-Trimethylbenzene Cc1c(C)ccc(C)c1 

MAr 9 1,2,3,4-Tetramethylbenzene Cc1c(C)c(C)c(C)cc1 

MAr 9 1,2-Dimethylbenzene Cc1c(C)cccc1 

MAr 9 1,3-Dimethylbenzene Cc1cc(C)ccc1 

MAr 9 1-Methyl-2-ethylbenzene Cc1c(CC)cccc1 

MAr 10 1,2,4-Trimethylbenzene Cc1c(C)cc(C)cc1 

MAr 10 1-Methyl-4-ethylbenzene Cc1ccc(CC)cc1 

MAr 10 1,2,3,5-Tetramethylbenzene Cc1c(C)c(C)cc(C)c1 

MAr 10 n-Butylbenzene c1ccccc1CCCC 

MAr 10 1-Methyl-2-propylbenzene Cc1c(CCC)cccc1 

MAr 10 1,3-Diethylbenzene CCc1cc(CC)ccc1 

MAr 10 1,4-Diethylbenzene CCc1ccc(CC)cc1 

MAr 10 1-Methyl-4-propylbenzene Cc1ccc(CCC)cc1 

MAr 10 1-Methyl-3-propylbenzene Cc1cc(CCC)ccc1 

MAr 11 1-Methyl-2-butylbenzene Cc1c(CCCC)cccc1 

MAr 11 1-Methyl-3-butylbenzene Cc1cc(CCCC)ccc1 

MAr 11 1-Methyl-4-butylbenzene Cc1ccc(CCCC)cc1 

MAr 11 1-Ethyl-2-propylbenzene CCc1c(CCC)cccc1 

MAr 11 1-Ethyl-3-propylbenzene CCc1cc(CCC)ccc1 

MAr 11 1-Ethyl-4-propylbenzene CCc1ccc(CCC)cc1 

MAr 11 1,2,3,4,5-Pentamethylbenzene Cc1c(C)c(C)c(C)c(C)c1 

MAr 11 n-Pentylbenzene c1ccccc1CCCCC 

MAr 12 1,2-Dipropylbenzene CCCc1c(CCC)cccc1 

MAr 12 1,3-Dipropylbenzene CCCc1cc(CCC)ccc1 

MAr 12 1,4-Dipropylbenzene CCCc1ccc(CCC)cc1 

MAr 12 1-Methyl-2-pentylbenzene Cc1c(CCCCC)cccc1 

MAr 12 1-Methyl-3-pentylbenzene Cc1cc(CCCCC)ccc1 

MAr 12 1-Methyl-4-pentylbenzene Cc1ccc(CCCCC)cc1 

MAr 12 1-Ethyl-2-butylbenzene CCc1c(CCCC)cccc1 

MAr 12 1-Ethyl-3-butylbenzene CCc1cc(CCCC)ccc1 

MAr 12 1-Ethyl-4-butylbenzene CCc1ccc(CCCC)cc1 

MAr 12 1,2-Dipropylbenzene CCCc1c(CCC)cccc1 

MAr 12 1,3-Dipropylbenzene CCCc1cc(CCC)ccc1 

MAr 12 1,4-Dipropylbenzene CCCc1ccc(CCC)cc1 

MAr 12 1,2,3-Triethylbenzene CCc1c(CC)c(CC)ccc1 

MAr 12 1,2,4-Triethylbenzene CCc1c(CC)cc(CC)cc1 

MAr 12 1,2,5-Triethylbenzene CCc1c(CC)ccc(CC)c1 

MAr 12 1,2,3,4,5,6-Hexamethylbenzene Cc1c(C)c(C)c(C)c(C)c1C 

MAr 12 n-Hexylbenzene c1ccccc1CCCCCC 

MAr 13 n-Heptylbenzene c1ccccc1CCCCCCC 

MAr 13 1-Methyl-2-hexylbenzene Cc1c(CCCCCC)cccc1 

88

MAr 13 1-Methyl-3-hexylbenzene Cc1cc(CCCCCC)ccc1 

MAr 13 1-Methyl-4-hexylbenzene Cc1ccc(CCCCCC)cc1 

MAr 13 1-Ethyl-2-pentylbenzene CCc1c(CCCCC)cccc1 

MAr 13 1-Ethyl-3-pentylbenzene CCc1cc(CCCCC)ccc1 

MAr 13 1-Ethyl-4-pentylbenzene CCc1ccc(CCCCC)cc1 

MAr 14 1-Methyl-2-heptylbenzene Cc1c(CCCCCCC)cccc1 

MAr 14 1-Methyl-3-heptylbenzene Cc1cc(CCCCCCC)ccc1 

MAr 14 1-Methyl-4-heptylbenzene Cc1ccc(CCCCCCC)cc1 

MAr 14 1-Ethyl-2-hexylbenzene CCc1c(CCCCCC)cccc1 

MAr 14 1-Ethyl-3-hexylbenzene CCc1cc(CCCCCC)ccc1 

MAr 14 1-Ethyl-4-hexylbenzene CCc1ccc(CCCCCC)cc1 

MAr 14 1,2-Dibutylbenzene CCCCc1c(CCCC)cccc1 

MAr 14 1,3-Dibutylbenzene CCCCc1cc(CCCC)ccc1 

MAr 14 1,4-Dibutylbenzene CCCCc1ccc(CCCC)cc1 

MAr 14 1,2,3,4-Tetraethylbenzene CCc1c(CC)c(CC)c(CC)cc1 

MAr 14 1,2,3,5-Tetraethylbenzene CCc1c(CC)c(CC)cc(CC)c1 

MAr 14 n-Octylbenzene c1ccccc1CCCCCCCC 

MAr 15 1-Methyl-2-octylbenzene Cc1c(CCCCCCCC)cccc1 

MAr 15 1-Methyl-3-octylbenzene Cc1cc(CCCCCCCC)ccc1 

MAr 15 1-Methyl-4-octylbenzene Cc1ccc(CCCCCCCC)cc1 

MAr 15 1-Ethyl-2-heptylbenzene CCc1c(CCCCCCC)cccc1 

MAr 15 1-Ethyl-3-heptylbenzene CCc1cc(CCCCCCC)ccc1 

MAr 15 1-Ethyl-4-heptylbenzene CCc1ccc(CCCCCCC)cc1 

MAr 15 1,2,3-Tripropylbenzene CCCc1c(CCC)c(CCC)ccc1 

MAr 15 1,2,4-Tripropylbenzene CCCc1c(CCC)cc(CCC)cc1 

MAr 15 1,2,5-Tripropylbenzene CCCc1c(CCC)ccc(CCC)c1 

MAr 15 1,2,3-Tripropylbenzene CCCc1c(CCC)c(CCC)ccc1 

MAr 15 1,2,4-Tripropylbenzene CCCc1cc(CCC)c(CCC)cc1 

MAr 15 1,2,5-Tripropylbenzene CCCc1ccc(CCC)c(CCC)c1 

MAr 15 n-Nonylbenzene c1ccccc1CCCCCCCCC 

MAr 16 1-Methyl-2-nonylbenzene Cc1c(CCCCCCCCC)cccc1 

MAr 16 1-Methyl-3-nonylbenzene Cc1cc(CCCCCCCCC)ccc1 

MAr 16 1-Methyl-4-nonylbenzene Cc1ccc(CCCCCCCCC)cc1 

MAr 16 1-Ethyl-2-octylbenzene CCc1c(CCCCCCCC)cccc1 

MAr 16 1-Ethyl-3-octylbenzene CCc1cc(CCCCCCCC)ccc1 

MAr 16 1-Ethyl-4-octylbenzene CCc1ccc(CCCCCCCC)cc1 

MAr 16 1,2-Dipentylbenzene CCCCCc1c(CCCCC)cccc1 

MAr 16 1,3-Dipentylbenzene CCCCCc1cc(CCCCC)ccc1 

MAr 16 1,4-Dipentylbenzene CCCCCc1ccc(CCCCC)cc1 

MAr 16 1,2,3,4,5-Pentaethylbenzene CCc1c(CC)c(CC)c(CC)c(CC)c1 

MAr 16 n-Decylbenzene c1ccccc1CCCCCCCCCC 

MAr 17 1-Methyl-2-decylbenzene Cc1c(CCCCCCCCCC)cccc1 

MAr 17 1-Methyl-3-decylbenzene Cc1cc(CCCCCCCCCC)ccc1 

MAr 17 1-Methyl-4-decylbenzene Cc1ccc(CCCCCCCCCC)cc1 

MAr 17 1-Ethyl-2-nonylbenzene CCc1c(CCCCCCCCC)cccc1 

MAr 17 1-Ethyl-3-nonylbenzene CCc1cc(CCCCCCCCC)ccc1 

MAr 17 1-Ethyl-4-nonylbenzene CCc1ccc(CCCCCCCCC)cc1 

MAr 17 n-Undecylbenzene c1ccccc1CCCCCCCCCCC 

MAr 17 1-benzyl4,8dimethylnonane c1ccccc1CCCC(C)CCCC(C)C 

MAr 18 n-Dodecylbenzene c1ccccc1CCCCCCCCCCCC 

89

MAr 18 1-benzyl4,8dimethyldecane c1ccccc1CCCC(C)CCCC(C)CC 

MAr 19 1-benzyl4,8dimethylundecane c1ccccc1CCCC(C)CCCC(C)CCC 

MAr 19 n-tridecylbenzene c1ccccc1CCCCCCCCCCCCC 

MAr 20 1-benzyl4,8dimethyldodecane c1ccccc1CCCC(C)CCCC(C)CCCC 

MAr 20 n-tetradecylbenzene c1ccccc1CCCCCCCCCCCCCC 

MAr 21 1-benzyl4,8dimethyltridecane c1ccccc1CCCC(C)CCCC(C)CCCCC 

MAr 21 n-pentadecylbenzene c1ccccc1CCCCCCCCCCCCCCC 

MAr 22 

1- 

benzyl4,8,12trimethyltridecane c1ccccc1CCCC(C)CCCC(C)CCCC(C)C 

MAr 22 n-hexadecylbenzene c1ccccc1CCCCCCCCCCCCCCCC 

MAr 23 

1-benzyl-4,8,12- 

trimethyltetradecane 

c1ccccc1CCCC(C)CCCC(C)CCCC(C)CC 

MAr 23 n-heptadecylbenzene c1ccccc1CCCCCCCCCCCCCCCCC 

MAr 24 

1-benzyl-4,8,12- 

trimethylpentadecane 

c1ccccc1CCCC(C)CCCC(C)CCCC(C)CCC 

MAr 24 n-octadecylbenzene c1ccccc1CCCCCCCCCCCCCCCCCC 

MAr 25 

1-benzyl-4,8,12- 

trimethylhexadecane 

c1ccccc1CCCC(C)CCCC(C)CCCC(C)CCCC 

MAr 25 n-nonyldecylbenzene c1ccccc1CCCCCCCCCCCCCCCCCCC 

MAr 26 

1-benzyl-4,8,12- 

trimethylheptadecane 

c1ccccc1CCCC(C)CCCC(C)CCCC(C)CCCCC 

MAr 26 n-eicosylbenzene c1ccccc1CCCCCCCCCCCCCCCCCCCC 

MAr 27 

1-benzyl-4,8,12,16- 

tetramethylheptadecane 

c1ccccc1CCCC(C)CCCC(C)CCCC(C)CCCC(C)C 

MAr 27 n-heneicosylbenzene c1ccccc1CCCCCCCCCCCCCCCCCCCCC 

1-benzyl-4,8,12,16- 


MAr 28 tetramethyloctadecane 

C 

MAr 28 n-docosylbenzene c1ccccc1CCCCCCCCCCCCCCCCCCCCCC 

1-benzyl-4,8,12,16- 


MAr 29 tetramethylnonadecane 

CC 

MAr 29 n-tricosylbenzene c1ccccc1CCCCCCCCCCCCCCCCCCCCCCC 

1-benzyl-4,8,12,16- 


MAr 30 tetramethyleicosane 

CCC 

MAr 30 n-tetracosylbenzene c1ccccc1CCCCCCCCCCCCCCCCCCCCCCCC 

1-benzyl-4,8,12,16- 


MAr 31 tetramethylheneicosane 

CCCC 

MAr 31 n-pentacosylbenzene c1ccccc1CCCCCCCCCCCCCCCCCCCCCCCCC 

1-benzyl-4,8,12,16- 


MAr 32 pentamethylheneicosane CCC(C)C 

NMAr 9 Indan(dihydroindene) c1ccc2CCCc2c1 

NMAr 9 cyclopropylbenzene c1ccccc1C2CC2 

NMAr 10 Methylindan c1ccc2CC(C)Cc2c1 

NMAr 10 Tetralin(tetrahydronaphthalene) c1ccc2CCCCc2c1 

NMAr 11 Ethylindan c1ccc2CC(CC)Cc2c1 

NMAr 11 Methyltetralin c1ccc2CC(C)CCc2c1 

NMAr 11 1,4dimethylindane c1cc(C)c2CC(C)Cc2c1 

NMAr 12 iso-Propylindan c1ccc2CC(C(C)C)Cc2c1 

NMAr 12 1,2-Dimethyltetralin c1ccc2C(C)C(C)CCc2c1 

NMAr 12 1,3-Dimethyltetralin c1ccc2C(C)CC(C)Cc2c1 

NMAr 12 1,4-Dimethyltetralin c1ccc2C(C)CCC(C)c2c1 

90

NMAr 12 n-Propylindan c1ccc2CC(CCC)Cc2c1 

NMAr 12 Ethyltetralin c1ccc2CC(CC)CCc2c1 

NMAr 12 1-ethyl4-methylindane c1cc(C)c2CC(CC)Cc2c1 

NMAr 13 1,2,3-Trimethyltetralin c1ccc2C(C)C(C)C(C)Cc2c1 

NMAr 13 1,2,4-Trimethyltetralin c1ccc2C(C)C(C)CC(C)c2c1 

NMAr 13 iso-Butylindan c1ccc2CC(CC(C)C)Cc2c1 

NMAr 13 n-Butylindan c1ccc2CC(CCCC)Cc2c1 

NMAr 13 5,6,7-Trimethyltetralin Cc1c(C)cc2CCCCc2c1C 

NMAr 13 1,4diethylindane c1cc(CC)c2CC(CC)Cc2c1 

NMAr 14 Octahydro-phenanthrene c1ccc2CCC3CCCCC3c2c1 

NMAr 14 5,6-Dimethyltetralin Cc1ccc2CCCCc2c1C 

NMAr 14 6,7-Dimethyltetralin Cc1c(C)cc2CCCCc2c1 

NMAr 14 6,8-Dimethyltetralin Cc1cc(C)c2CCCCc2c1 

NMAr 14 iso-Propyltetralin c1ccc2CC(C(C)C)CCc2c1 

NMAr 14 n-Propyltetralin c1ccc2CC(CCC)CCc2c1 

NMAr 14 1,2,3,4-Tetramethyltetralin c1ccc2C(C)C(C)C(C)C(C)c2c1 

NMAr 14 iso-Pentylindan c1ccc2CC(CCC(C)C)Cc2c1 

NMAr 14 2-Methyl-n-butylindan c1ccc2CC(CC(C)CC)Cc2c1 

NMAr 14 iso-Butyltetralin c1ccc2CC(CC(C)C)CCc2c1 

NMAr 14 n-Pentylindan c1ccc2CC(CCCCC)Cc2c1 

NMAr 14 n-Butyltetralin c1ccc2CC(CCCC)CCc2c1 

NMAr 14 5,6,7,8-Tetramethyltetralin Cc1c(C)c(C)c2CCCCc2c1C 

NMAr 14 1-methyl5-isopropyltetralin c1c(C(C)C)cc2CC(C)CCc2c1 

NMAr 14 1-methyl5-n-propyltetralin c1c(CCC)cc2CC(C)CCc2c1 

NMAr 14 1-ethyl4-propylylindane c1cc(CCC)c2CC(CC)Cc2c1 

NMAr 15 Methyl-octahydro-phenanthrene c1ccc2CCC3CC(C)CCC3c2c1 

NMAr 15 iso-Hexylindan c1ccc2CC(CCCC(C)C)Cc2c1 

NMAr 15 2-Methyl-n-pentylindan c1ccc2CC(CC(C)CCC)Cc2c1 

NMAr 15 iso-Pentyltetralin c1ccc2CC(CCC(C)C)CCc2c1 

NMAr 15 2-Methyl-n-butyltetralin c1ccc2CC(CC(C)CC)CCc2c1 

NMAr 15 n-Hexylindan c1ccc2CC(CCCCCC)Cc2c1 

NMAr 15 n-Pentyltetralin c1ccc2CC(CCCCC)CCc2c1 

NMAr 15 1-methyl5-2methylpropyltetralin c1c(CC(C)C)cc2CC(C)CCc2c1 

NMAr 15 1-ethyl4-butylindane c1cc(CCCC)c2CC(CC)Cc2c1 

NMAr 16 Ethyl-octahydro-phenanthrene c1ccc2CCC3CC(CC)CCC3c2c1 

NMAr 16 iso-Heptylindan c1ccc2CC(CCCCC(C)C)Cc2c1 

NMAr 16 2-Methyl-n-hexylindan c1ccc2CC(CC(C)CCCC)Cc2c1 

NMAr 16 iso-Hexyltetralin c1ccc2CC(CCCC(C)C)CCc2c1 

NMAr 16 2-Methyl-n-pentyltetralin c1ccc2CC(CC(C)CCC)CCc2c1 

NMAr 16 n-Heptylindan c1ccc2CC(CCCCCCC)Cc2c1 

NMAr 16 n-Hexyltetralin c1ccc2CC(CCCCCC)CCc2c1 

NMAr 16 1-methyl5-2methylbutyltetralin c1c(CC(C)CC)cc2CC(C)CCc2c1 

NMAr 16 1-ethyl4-isopentylindane c1cc(CC(C)CC)c2CC(CC)Cc2c1 

NMAr 17 

iso-Propyl-octahydrophenanthrene 

c1ccc2CCC3CC(C(C)C)CCC3c2c1 

NMAr 17 

n-Propyl-octahydrophenanthrene 

c1ccc2CCC3CC(CCC)CCC3c2c1 

NMAr 17 iso-Octylindan c1ccc2CC(CCCCCC(C)C)Cc2c1 

NMAr 17 2-Methyl-n-heptylindan c1ccc2CC(CC(C)CCCCC)Cc2c1 

NMAr 17 iso-Heptyltetralin c1ccc2CC(CCCCC(C)C)CCc2c1 

NMAr 17 2-Methyl-n-hexyltetralin c1ccc2CC(CC(C)CCCC)CCc2c1 

91

NMAr 17 n-Octylindan c1ccc2CC(CCCCCCCC)Cc2c1 

NMAr 17 n-Heptyltetralin c1ccc2CC(CCCCCCC)CCc2c1 

NMAr 17 1-methyl5-2methylpentyltetralin c1c(CC(C)CCC)cc2CC(C)CCc2c1 

NMAr 17 1-ethyl4-2methypenyllindane c1cc(CC(C)CCC)c2CC(CC)Cc2c1 

NMAr 18 Dodecahydro-Chrysene c1ccc2CCC3C4CCCCC4CCC3c2c1 

NMAr 18 

iso-Butyl-octahydrophenanthrene 

c1ccc2CCC3CC(CC(C)C)CCC3c2c1 

NMAr 18 

n-Butyl-octahydrophenanthrene 

c1ccc2CCC3CC(CCCC)CCC3c2c1 

NMAr 18 iso-Nonylindan c1ccc2CC(CCCCCCC(C)C)Cc2c1 

NMAr 18 2-Methyl-n-octylindan c1ccc2CC(CC(C)CCCCCC)Cc2c1 

NMAr 18 iso-Octyltetralin c1ccc2CC(CCCCCC(C)C)CCc2c1 

NMAr 18 2-Methyl-n-heptyltetralin c1ccc2CC(CC(C)CCCCC)CCc2c1 

NMAr 18 n-Nonylindan c1ccc2CC(CCCCCCCCC)Cc2c1 

NMAr 18 n-Octyltetralin c1ccc2CC(CCCCCCCC)CCc2c1 

NMAr 18 1-methyl5-2methylhexyltetralin c1c(CC(C)CCCC)cc2CC(C)CCc2c1 

NMAr 18 1-ethyl4-2methylhexylindane c1cc(CC(C)CCCC)c2CC(CC)Cc2c1 

NMAr 18 bicyclohexyl-benzene C(C(CCCC1)C1)(CC(c3ccccc3)CC2)C2 

NMAr 19 Methyl-dodecahydro-chyrsene c1ccc2CCC3C4CC(C)CCC4CCC3c2c1 

NMAr 19 

iso-Pentyl-octahydrophenanthrene 

c1ccc2CCC3CC(CCC(C)C)CCC3c2c1 

NMAr 19 

n-Pentyl-octahydrophenanthrene 

c1ccc2CCC3CC(CCCCC)CCC3c2c1 

NMAr 19 iso-Decylindan c1ccc2CC(CCCCCCCC(C)C)Cc2c1 

NMAr 19 2-Methyl-n-nonylindan c1ccc2CC(CC(C)CCCCCCC)Cc2c1 

NMAr 19 iso-Nonyltetralin c1ccc2CC(CCCCCCC(C)C)CCc2c1 

NMAr 19 2-Methyl-n-octyltetralin c1ccc2CC(CC(C)CCCCCC)CCc2c1 

NMAr 19 n-Decylindan c1ccc2CC(CCCCCCCCCC)Cc2c1 

NMAr 19 n-Nonyltetralin c1ccc2CC(CCCCCCCCC)CCc2c1 

NMAr 19 1-methyl5-2methylheptyltetralin c1c(CC(C)CCCCC)cc2CC(C)CCc2c1 

NMAr 19 1-ethyl4-2methylheptylindane c1cc(CC(C)CCCCC)c2CC(CC)Cc2c1 

NMAr 19 methyl-bicylohexyl-benzene C(C(CC(C)CC1)C1)(CC(c3ccccc3)CC2)C2 

NMAr 20 Ethyl-dodecahydro-chrysene c1ccc2CCC3C4CC(CC)CCC4CCC3c2c1 

NMAr 20 

iso-Hexyl-octahydrophenanthrene 

c1ccc2CCC3CC(CCCC(C)C)CCC3c2c1 

NMAr 20 

n-Hexyl-octahydrophenanthrene 

c1ccc2CCC3CC(CCCCCC)CCC3c2c1 

NMAr 20 1-methyl5-2methyloctyltetralin c1c(CC(C)CCCCCC)cc2CC(C)CCc2c1 

NMAr 20 2,4dimethyloctyltetralin c1ccc2CC(CC(C)CC(C)CCCC)CCc2c1 

NMAr 20 1-ethyl4-2methyoctyllindane c1cc(CC(C)CCCCCC)c2CC(CC)Cc2c1 

NMAr 20 ethyl-bicylohexyl-benzene C(C(CC(CC)CC1)C1)(CC(c3ccccc3)CC2)C2 

NMAr 21 

iso-Propyl-dodecahydrochyrsene 

c1ccc2CCC3C4CC(C(C)C)CCC4CCC3c2c1 

NMAr 21 

n-Propyl-dodecahydrochyrsene 

c1ccc2CCC3C4CC(CCC)CCC4CCC3c2c1 

NMAr 21 

iso-Heptyl-octahydrophenanthrene 

c1ccc2CCC3CC(CCCCC(C)C)CCC3c2c1 

NMAr 21 

n-Heptyl-octahydrophenanthrene 

c1ccc2CCC3CC(CCCCCCC)CCC3c2c1 

NMAr 21 1-methyl5-2methylnonyltetralin c1c(CC(C)CCCCCCC)cc2CC(C)CCc2c1 

NMAr 21 2,4,6trimethyloctyltetralin c1ccc2CC(CC(C)CC(C)CC(C)CC)CCc2c1 

NMAr 21 1-ethyl4-2,6dimethyloctylindane c1cc(CC(C)CCCC(C)CC)c2CC(CC)Cc2c1 

92

NMAr 24 

c1cc(CC(C)CCCC(C)CCCCC)c2CC(CC)Cc2c1 

NMAr 21 

isohexyl-octahydrophenanthrene 

c1ccc2CCC3CC(CC(C)CCCC)CCC3c2c1 

NMAr 21 isopropyl-bicylohexyl-benzene C(C(CC(C(C)C)CC1)C1)(CC(c3ccccc3)CC2)C2 

NMAr 22 

iso-Butyl-dodecahydrochyrsene 

c1ccc2CCC3C4CC(CC(C)C)CCC4CCC3c2c1 

NMAr 22 n-Butyl-dodecahydro-chyrsene c1ccc2CCC3C4CC(CCCC)CCC4CCC3c2c1 

NMAr 22 Hexadecahydro-Picene 

C12=CC=C4C(CCC5C4CCCC5)=C1CCC3C2CC 

CC3 

NMAr 22 

1-methyl-5-(2,6- 

dimethylnonyl)tetralin 

c1c(CC(C)CCCC(C)CCC)cc2CC(C)CCc2c1 

NMAr 22 2,4,6trimethylnonyltetralin c1ccc2CC(CC(C)CC(C)CC(C)CCC)CCc2c1 

NMAr 22 

1-ethyl4- 

2,6dimethylnonylindane 

c1cc(CC(C)CCCC(C)CCC)c2CC(CC)Cc2c1 

NMAr 22 

isoheptyl-octahydrophenanthrene 

c1ccc2CCC3CC(CC(C)CCCCC)CCC3c2c1 

NMAr 22 isobutyl-bicylohexyl-benzene C(C(CC(CC(C)C)CC1)C1)(CC(c3ccccc3)CC2)C2 

NMAr 22 

methyl-tetrahydrobenzo(a)pyrene 

c(c(c(cc1)cc(C)c2)c2cc3)(c3cc(c4CCC5)C5)c14 

NMAr 23 

iso-Pentyl-dodecahydrochyrsene 

c1ccc2CCC3C4CC(CCC(C)C)CCC4CCC3c2c1 

NMAr 23 n-Pentyl-dodecahydro-chyrsene c1ccc2CCC3C4CC(CCCCC)CCC4CCC3c2c1 

NMAr 23 Methyl-hexadecahydro-picene 


C(C)C3 

NMAr 23 

1-methyl-5-(2,6- 

dimethyldecyl)tetralin 

c1c(CC(C)CCCC(C)CCCC)cc2CC(C)CCc2c1 

NMAr 23 2,4,6-trimethyldecyltetralin c1ccc2CC(CC(C)CC(C)CC(C)CCCC)CCc2c1 

NMAr 23 

1-ethyl-4-(2,6- 

dimethyldecyl)indane 

c1cc(CC(C)CCCC(C)CCCC)c2CC(CC)Cc2c1 

NMAr 23 

2,6-dimethylheptyl-octahydrophenanthrene 

c1ccc2CCC3CC(CC(C)CCCC(C)C)CCC3c2c1 

NMAr 23 isopentyl-bicylohexyl-benzene 

C(C(CC(CC(C)CC)CC1)C1)(CC(c3ccccc3)CC2)C 

2 

NMAr 23 isopentyldodecahydro-chyrsene c1ccc2CCC3C4CCC(CC(C)CC)CC4CCC3c2c1 

NMAr 23 

ethyl-tetrahydrobenzo(a)pyrene 

c(c(c(cc1)cc(CC)c2)c2cc3)(c3cc(c4CCC5)C5)c14 

NMAr 23 Methyl-hexadecahydro-picene 


C(C)C3 

NMAr 24 

1-methyl-(5-2,6- 

dimethylundecyl)tetralin 

c1c(CC(C)CCCC(C)CCCCC)cc2CC(C)CCc2c1 

NMAr 24 

2,4,6,10- 

tetramethyldecyltetralin 

c1ccc2CC(CC(C)CC(C)CC(C)CC(C)CC)CCc2c1 

1-ethyl-4-(2,6- 

dimethylundecyl)indane 

2,6-dimethyloctyl-octahydrophenanthrene 

NMAr 24 

c1ccc2CCC3CC(CC(C)CCCC(C)CC)CCC3c2c1 

NMAr 24 isohexyl-bicylohexyl-benzene 

C(C(CC(CC(C)CCC)CC1)C1)(CC(c3ccccc3)CC2) 

C2 

NMAr 24 isohexyldodecahydro-chyrsene c1ccc2CCC3C4CCC(CC(C)CCC)CC4CCC3c2c1 

propyl-tetrahydrobenzo(a)pyrene 

c(c(c(cc1)cc(CCC)c2)c2cc3)(c3cc(c4CCC5)C5)c1 

NMAr 24 

4 

NMAr 24 Ethyl-hexadecahydro-picene 


C(CC)C3 

NMAr 25 

1-methyl-5-(2,6- 

dimethyldodecyl)tetralin 

c1c(CC(C)CCCC(C)CCCCCC)cc2CC(C)CCc2c1 

2,4,6,10tetramethylundecyltetra c1ccc2CC(CC(C)CC(C)CC(C)CC(C)CCC)CCc2c 

NMAr 25 lin 

1 

NMAr 25 1-ethyl-4-(2,6- c1cc(CC(C)CCCC(C)CCCCCC)c2CC(CC)Cc2c1 

93

NMAr 25 

NMAr 25 isoheptyl-bicylohexyl-benzene 

NMAr 25 Propyl-hexadecahydro-picene 

NMAr 26 

NMAr 26 

NMAr 26 

NMAr 26 

NMAr 26 

dimethyldodecyl)indane 

2,6-dimethylnonyl-octahydrophenanthrene 

NMAr 25 isoheptyldodecahydro-chyrsene 

isobutyl-tetrahydrobenzo(a)pyrene 

NMAr 25 

1-methyl-5-(2,6- 

dimethyltridecyl)tetralin 

2,4,6,10tetramethyldodecyltetra 

lin 

1-ethyl-4-(2,6,10- 

trimethyldodecyl)indane 

2,6-dimethyldecyl-octahydrophenanthrene 

NMAr 26 isooctyldodecahydro-chyrsene 

isopentyl-tetrahydrobenzo(a)pyrene 

NMAr 26 

NMAr 26 Isobutyl-hexadecahydro-picene 

1-methyl-5-(2,6,10- 

NMAr 27 trimethyltridecyl)tetralin 

1-ethyl-4-(2,6,10- 

NMAr 27 trimethyltridecyl)indane 

2,6-dimethylundecyl-octahydrophenanthrene 

NMAr 27 

2,6- 

dimethylheptyldodecahydrochyrsene 

NMAr 27 

isohexyl-tetrahydrobenzo(a)pyrene 

NMAr 27 

Isopentyl-hexadecahydropicene 

NMAr 27 

1-methyl-5-(2,6,10- 

NMAr 28 trimethyltetradecyl)tetralin 

2,4,6,10-pentamethyldodecyltetralin 

NMAr 28 

1-ethyl-4-(2,6,10- 

NMAr 28 trimethylteradecyl)indane 

2,6,10-trimethylundecyloctahydro-phenanthrene 

NMAr 28 

2,6-dimethyloctyldodecahydrochyrsene 

NMAr 28 

isoheptyl-tetrahydrobenzo(a)pyrene 

NMAr 28 

2,6-dimethylheptyl-tetrahydrobenzo(a)pyrene 

NMAr 28 

NMAr 28 Isohexyl-hexadecahydro-picene 

1-methyl5- 

2,6,10trimethylpentadecyltetrali 

NMAr 29 n 

c1ccc2CCC3CC(CC(C)CCCC(C)CCC)CCC3c2c1 

C(C(CC(CC(C)CCCC)CC1)C1)(CC(c3ccccc3)CC 

2)C2 

c1ccc2CCC3C4CCC(CC(C)CCCC)CC4CCC3c2c 

1 

c(c(c(cc1)cc(CC(C)C)c2)c2cc3)(c3cc(c4CCC5)C5 

)c14 


C(CCC)C3 

C12=CC=C4C(CCC5C4CCC6C5CCCC6)=C1CC 

C3C2CCCC3 

c1c(CC(C)CCCC(C)CCCCCCC)cc2CC(C)CCc2c 

1 

c1ccc2CC(CC(C)CC(C)CC(C)CC(C)CCCC)CCc2 

c1 

c1cc(CC(C)CCCC(C)CCCC(C)CC)c2CC(CC)Cc2 

c1 

c1ccc2CCC3CC(CC(C)CCCC(C)CCCC)CCC3c2c 

1 

c1ccc2CCC3C4CCC(CC(C)CCCCC)CC4CCC3c2 

c1 

c(c(c(cc1)cc(CC(C)CC)c2)c2cc3)(c3cc(c4CCC5)C 

5)c14 


C(CC(C)C)C3 

c1c(CC(C)CCCC(C)CCCC(C)CCC)cc2CC(C)CCc 

2c1 

c1cc(CC(C)CCCC(C)CCCC(C)CCC)c2CC(CC)Cc 

2c1 

c1ccc2CCC3CC(CC(C)CCCC(C)CCCCC)CCC3c 

2c1 

c1ccc2CCC3C4CCC(CC(C)CCCC(C)C)CC4CCC 

3c2c1 

c(c(c(cc1)cc(CC(C)CCC)c2)c2cc3)(c3cc(c4CCC5) 

C5)c14 


C(CC(C)CC)C3 

c1c(CC(C)CCCC(C)CCCC(C)CCCC)cc2CC(C)C 

Cc2c1 

c1ccc2CC(CC(C)CC(C)CC(C)CC(C)CC(C)CCC)C 

Cc2c1 

c1cc(CC(C)CCCC(C)CCCC(C)CCCC)c2CC(CC) 

Cc2c1 

c1ccc2CCC3CC(CC(C)CCCC(C)CCCC(C)C)CCC 

3c2c1 

c1ccc2CCC3C4CCC(CC(C)CCCC(C)CC)CC4CC 

C3c2c1 

c(c(c(cc1)cc(CC(C)CCCC)c2)c2cc3)(c3cc(c4CCC 

5)C5)c14 

c(c(c(cc1)cc(CC(C)CCCC(C))c2)c2cc3)(c3cc(c4C 

CC5)C5)c14 


C(CC(C)CCC)C3 

c1c(CC(C)CCCC(C)CCCC(C)CCCCC)cc2CC(C) 

CCc2c1 

94

NMAr 29 

NMAr 29 

NMAr 29 

NMAr 29 

NMAr 29 

NMAr 29 

2,4,6,10pentamethyltridecyltetr 

alin 

1-ethyl4- 

2,6,10trimethylpentaadecylinda 

ne 

2,6,10-trimethyldodecyloctahydro-phenanthrene 

2,6-dimethylnonyldodecahydrochyrsene 

2,6-dimethyloctyl-tetrahydrobenzo(a)pyrene 

Isoheptyl-hexadecahydropicene 

NMAr 30 #15--------- 

1-methyl5- 

NMAr 30 2,6,10trimethyhexadecyltetralin 

2,4,6,10pentamethyltetradecylt 

NMAr 30 etralin 

1-ethyl4- 

NMAr 30 2,6,10trimethylhexadecylindane 

2,6,10-trimethyltridecyloctahydro-phenanthrene 

NMAr 30 

2,6-dimethyldecyldodecahydrochyrsene 

NMAr 30 

2,6-dimethylnonyl-tetrahydrobenzo(a)pyrene 

NMAr 30 

NMAr 30 Isooctyl-hexadecahydro-picene 

1-methyl5- 

2,6,10,14tetramethyltridecyltetr 

NMAr 31 alin 

2,4,6,10pentamethylpentadecylt 


1-ethyl4- 

2,6,10,14tetramethylhexadecyli 

NMAr 31 ndane 

2-methyloctylhexadecahydropicene 

NMAr 31 

2,4,6,10pentamethylhexadecylt 


2,6-dimethyoctylhexadecahydro-picene 

NMAr 32 

c1ccc2CC(CC(C)CC(C)CC(C)CC(C)CC(C)CCCC) 

CCc2c1 

c1cc(CC(C)CCCC(C)CCCC(C)CCCCC)c2CC(CC 

)Cc2c1 

c1ccc2CCC3CC(CC(C)CCCC(C)CCCC(C)CC)CC 

C3c2c1 

c1ccc2CCC3C4CCC(CC(C)CCCC(C)CCC)CC4C 

CC3c2c1 

c(c(c(cc1)cc(CC(C)CCCC(C)C)c2)c2cc3)(c3cc(c4 

CCC5)C5)c14 


C(CC(C)CCCC)C3 

C12=CC=CC=C1CC3C(CCC4C3CCC5C4CC(CC 

C7C6CCCC7)C6C5)C2 

c1c(CC(C)CCCC(C)CCCC(C)CCCCCC)cc2CC(C 

)CCc2c1 

c1ccc2CC(CC(C)CC(C)CC(C)CC(C)CC(C)CC(C) 

CC)CCc2c1 

c1cc(CC(C)CCCC(C)CCCC(C)CCCCCC)c2CC(C 

C)Cc2c1 

c1ccc2CCC3CC(CC(C)CCCC(C)CCCC(C)CCC)C 

CC3c2c1 

c1ccc2CCC3C4CCC(CC(C)CCCC(C)CCCC)CC4 

CCC3c2c1 

c(c(c(cc1)cc(CC(C)CCCC(C)CC)c2)c2cc3)(c3cc(c 

4CCC5)C5)c14 


C(CC(C)CCCCC)C3 

c1c(CC(C)CCCC(C)CCCC(C)CCCC(C)CC)cc2C 

C(C)CCc2c1 


CCC)CCc2c1 

c1cc(CC(C)CCCC(C)CCCC(C)CCCC(C)CC)c2C 

C(CC)Cc2c1 

c12ccc3c(c2CCC5C1CCC(CC(C)CCCCCC)C5)C 

CC4C3CCCC4 


CCCC)CCc2c1 

c12ccc3c(c2CCC5C1CCC(CC(C)CCCC(C)CC)C5 

)CCC4C3CCCC4 

DAr 10 Naphthalene c1ccc2ccccc2c1 

DAr 10 1,2-Dimethylnaphthalene Cc1ccc2ccccc2c1C 

DAr 11 2-Methylnaphthalene Cc1ccc2ccccc2c1 

DAr 11 1-Methylnaphthalene c1ccc2ccccc2c1C 

DAr 12 Biphenyl c1ccccc1c2ccccc2 

DAr 12 2,6-Dimethylnaphthalene Cc1ccc2cc(C)ccc2c1 

DAr 12 2,7-Dimethylnaphthalene Cc1ccc2ccc(C)cc2c1 

DAr 12 2-Ethylnaphthalene CCc1ccc2ccccc2c1 

DAr 12 2,3-Dimethylnaphthalene Cc1c(C)cc2ccccc2c1 

DAr 12 1-Ethylnaphthalene c1ccc2ccccc2c1CC 

DAr 12 2,4-Dimethylnaphthalene Cc1cc(C)c2ccccc2c1 

95

DAr 12 2,5-Dimethylnaphthalene Cc1ccc2c(C)cccc2c1 

DAr 12 2,8-Dimethylnaphthalene Cc1ccc2cccc(C)c2c1 

DAr 12 2-iso-Propylnaphthalene CC(C)c1ccc2ccccc2c1 

DAr 13 4-Methylbiphenyl c1ccccc1c2ccc(C)cc2 

DAr 13 2-Propylnaphthalene CCCc1ccc2ccccc2c1 

DAr 13 1-Propylnaphthalene c1ccc2ccccc2c1CCC 

DAr 13 2,3,6-Trimethylnaphthalene Cc1c(C)cc2cc(C)ccc2c1 

DAr 13 2,3,7-Trimethylnaphthalene Cc1c(C)cc2ccc(C)cc2c1 

DAr 13 4-Ethylbiphenyl c1ccccc1c2ccc(CC)cc2 

DAr 13 1,2,4-Trimethylnaphthalene Cc1cc(C)c2ccccc2c1C 

DAr 13 1,2,5-Trimethylnaphthalene Cc1ccc2c(C)cccc2c1C 

DAr 13 2,3,4-Trimethylnaphthalene Cc1c(C)c(C)c2ccccc2c1 

DAr 13 2,3,5-Trimethylnaphthalene Cc1c(C)cc2c(C)cccc2c1 

DAr 13 2,3,8-Trimethylnaphthalene Cc1c(C)cc2cccc(C)c2c1 

DAr 13 2,4,5-Trimethylnaphthalene Cc1cc(C)c2c(C)cccc2c1 

DAr 13 2,4,6-Trimethylnaphthalene Cc1cc(C)c2cc(C)ccc2c1 

DAr 13 2,4,7-Trimethylnaphthalene Cc1cc(C)c2ccc(C)cc2c1 

DAr 13 2,4,8-Trimethylnaphthalene Cc1cc(C)c2cccc(C)c2c1 

DAr 13 2,3-Dimethylbiphenyl Cc1c(C)cccc1c2ccccc2 

DAr 14 1,2,3-Trimethylnaphthalene Cc1c(C)cc2ccccc2c1C 

DAr 14 2,4-Dimethylbiphenyl Cc1cc(C)ccc1c2ccccc2 

DAr 14 2-iso-Butylnaphthalene CC(C)Cc1ccc2ccccc2c1 

DAr 14 2-Butylnaphthalene CCCCc1ccc2ccccc2c1 

DAr 14 1-Butylnaphthalene c1ccc2ccccc2c1CCCC 

DAr 14 4-Propylbiphenyl c1ccccc1c2ccc(CCC)cc2 

DAr 14 2,3,4,5-Tetramethylnaphthalene Cc1c(C)c(C)c2c(C)cccc2c1 

DAr 14 2,3,4,6-Tetramethylnaphthalene Cc1c(C)c(C)c2cc(C)ccc2c1 

DAr 14 2,3,4,7-Tetramethylnaphthalene Cc1c(C)c(C)c2ccc(C)cc2c1 

DAr 14 2,3,4,8-Tetramethylnaphthalene Cc1c(C)c(C)c2cccc(C)c2c1 

DAr 14 2,3,4-Trimethylbiphenyl Cc1c(C)c(C)ccc1c2ccccc2 

DAr 15 1,2,3,4-Tetramethylnaphthalene Cc1c(C)c(C)c2ccccc2c1C 

DAr 15 2,4,6-Trimethylbiphenyl Cc1cc(C)cc(C)c1c2ccccc2 

DAr 15 4-iso-Propylbiphenyl c1ccccc1c2ccc(C(C)C)cc2 

DAr 15 2-iso-Pentylnaphthalene CC(C)CCc1ccc2ccccc2c1 

DAr 15 2-(2-Methylbutyl)naphthalene CCC(C)Cc1ccc2ccccc2c1 

DAr 15 2-Pentylnaphthalene CCCCCc1ccc2ccccc2c1 

DAr 15 1-Pentylnaphthalene c1ccc2ccccc2c1CCCCC 

DAr 15 4-iso-Butylbiphenyl c1ccccc1c2ccc(CC(C)C)cc2 

DAr 15 

1,2,3,4,6- 

Pentamethylnaphthalene Cc1c(C)c(C)c2cc(C)ccc2c1C 

DAr 15 

1,2,3,4,7- 

Pentamethylnaphthalene Cc1c(C)c(C)c2ccc(C)cc2c1C 

DAr 15 

1,2,3,4,8- 

Pentamethylnaphthalene Cc1c(C)c(C)c2cccc(C)c2c1C 

DAr 15 2,3,4,5-Trimethylbiphenyl Cc1c(C)c(C)c(C)cc1c2ccccc2 

DAr 16 4-Butylbiphenyl c1ccccc1c2ccc(CCCC)cc2 

DAr 16 

1,2,3,4,5- 

Pentamethylnaphthalene Cc1c(C)c(C)c2c(C)cccc2c1C 

DAr 16 2-iso-Hexylnaphthalene CC(C)CCCc1ccc2ccccc2c1 

DAr 16 2-(2-Methylpentyl)naphthalene CCCC(C)Cc1ccc2ccccc2c1 

DAr 16 2-(3-Methylpentyl)naphthalene CCC(C)CCc1ccc2ccccc2c1 

96

DAr 16 2-Hexylnaphthalene CCCCCCc1ccc2ccccc2c1 

DAr 16 1-Hexylnaphthalene c1ccc2ccccc2c1CCCCCC 

DAr 16 4-iso-Pentylbiphenyl c1ccccc1c2ccc(CCC(C)C)cc2 

DAr 16 

1,2,3,4,5,7- 

Hexamethylnaphthalene 

Cc1c(C)c(C)c2c(C)cc(C)cc2c1C 

DAr 16 

1,2,3,4,5,8- 


Cc1c(C)c(C)c2c(C)ccc(C)c2c1C 

DAr 16 2-iso-Heptylnaphthalene CC(C)CCCCc1ccc2ccccc2c1 

DAr 17 4-Pentylbiphenyl c1ccccc1c2ccc(CCCCC)cc2 

DAr 17 

1,2,3,4,5,6- 


Cc1c(C)c(C)c2c(C)c(C)ccc2c1C 

DAr 17 2-(2-Methylhexyl)naphthalene CCCCC(C)Cc1ccc2ccccc2c1 

DAr 17 2-(3-Methylhexyl)naphthalene CCCC(C)CCc1ccc2ccccc2c1 

DAr 17 2-(4-Methylhexyl)naphthalene CCC(C)CCCc1ccc2ccccc2c1 

DAr 17 2-Heptylnaphthalene CCCCCCCc1ccc2ccccc2c1 

DAr 17 1-Heptylnaphthalene c1ccc2ccccc2c1CCCCCCC 

DAr 17 4-iso-Hexylbiphenyl c1ccccc1c2ccc(CCCC(C)C)cc2 

DAr 17 

1,2,3,4,5,6,8- 

Heptylmethylnaphthalene Cc1c(C)c(C)c2c(C)c(C)cc(C)c2c1C 

DAr 17 2-iso-Octylnaphthalene CC(C)CCCCCc1ccc2ccccc2c1 

DAr 18 4-Hexylbiphenyl c1ccccc1c2ccc(CCCCCC)cc2 

DAr 18 

1,2,3,4,5,6,7- 

Heptylmethylnaphthalene Cc1c(C)c(C)c2c(C)c(C)c(C)cc2c1C 

DAr 18 2-(2-Methylheptyl)naphthalene CCCCCC(C)Cc1ccc2ccccc2c1 

DAr 18 2-(3-Methylheptyl)naphthalene CCCCC(C)CCc1ccc2ccccc2c1 

DAr 18 2-(4-Methylheptyl)naphthalene CCCC(C)CCCc1ccc2ccccc2c1 

DAr 18 2-Octylnaphthalene CCCCCCCCc1ccc2ccccc2c1 

DAr 18 1-Octylnaphthalene c1ccc2ccccc2c1CCCCCCCC 

DAr 18 4-iso-Heptylbiphenyl c1ccccc1c2ccc(CCCCC(C)C)cc2 

DAr 18 2-iso-Nonylnaphthalene CC(C)CCCCCCc1ccc2ccccc2c1 

DAr 18 

2,3Dimethy- 

5(4methylpentyl)naphthalene Cc2cc1c(CCCC(C)C)cccc1cc2C 

DAr 19 4-Heptylbiphenyl c1ccccc1c2ccc(CCCCCCC)cc2 

DAr 19 Octylmethylnaphthalene Cc1c(C)c(C)c2c(C)c(C)c(C)c(C)c2c1C 

DAr 19 2-(2-Methyloctyl)naphthalene CCCCCCC(C)Cc1ccc2ccccc2c1 

DAr 19 2-(3-Methyloctyl)naphthalene CCCCCC(C)CCc1ccc2ccccc2c1 

DAr 19 2-(4-Methyloctyl)naphthalene CCCCC(C)CCCc1ccc2ccccc2c1 

DAr 19 2-Nonylnaphthalene CCCCCCCCCc1ccc2ccccc2c1 

DAr 19 1-Nonylnaphthalene c1ccc2ccccc2c1CCCCCCCCC 

DAr 19 4-iso-Octylbiphenyl c1ccccc1c2ccc(CCCCCC(C)C)cc2 

DAr 20 4-octylbiphenyl c1ccccc1c2ccc(CCCCCCCC)cc2 

DAr 20 2-iso-Decylnaphthalene CC(C)CCCCCCCc1ccc2ccccc2c1 

DAr 20 2-(2-Methylnonyl)naphthalene CCCCCCCC(C)Cc1ccc2ccccc2c1 

DAr 20 2-Decylnaphthalene CCCCCCCCCCc1ccc2ccccc2c1 

DAr 20 1-Decylnaphthalene c1ccc2ccccc2c1CCCCCCCCCC 

DAr 20 4-Nonylbiphenyl c1ccccc1c2ccc(CCCCCCC(C)C)cc2 

DAr 21 4-Nonylbiphenyl c1ccccc1c2ccc(CCCCCCCCC)cc2 

DAr 21 2-(3-Methylnonyl)naphthalene CCCCCCCCC(C)CCc1ccc2ccccc2c1 

DAr 22 2-(4-Methylnonyl)naphthalene CCCCCCCC(C)CCCc1ccc2ccccc2c1 

DAr 22 4-2,6dimethyloctylbiphenyl c1ccccc1c2ccc(CC(C)CCCC(C)CC)cc2 

DAr 22 4-2,6dimethylnonylbiphenyl c1ccccc1c2ccc(CC(C)CCCC(C)CCC)cc2 

DAr 22 2-(4,8-Dimethylundecyl)- CCCC(C)CCCC(C)CCCc1ccc2ccccc2c1 

97

naphthalene 

DAr 23 4-2,6dimethyldecylbiphenyl c1ccccc1c2ccc(CC(C)CCCC(C)CCCC)cc2 

DAr 23 

2-(4,8-Dimethyldodecyl)- 

naphthalene 

CCCCC(C)CCCC(C)CCCc1ccc2ccccc2c1 

DAr 24 4-2,6dimethylundecylbiphenyl c1ccccc1c2ccc(CC(C)CCCC(C)CCCCC)cc2 

DAr 24 

2-(4,8,14-Trimethyldodecyl)- 

naphthalene 

C(C)CCCC(C)CCCC(C)CCCc1ccc2ccccc2c1 

DAr 25 

4- 

2,6,10trimethylundecylbiphenyl c1ccccc1c2ccc(CC(C)CCCC(C)CCCC(C)C)cc2 

DAr 25 

2-(4,8,14- 

Trimethyltridecyl)naphthalene CC(C)CCCC(C)CCCC(C)CCCc1ccc2ccccc2c1 

DAr 26 

4- 

2,6,10trimethyldodecylbiphenyl c1ccccc1c2ccc(CC(C)CCCC(C)CCCC(C)CC)cc2 

DAr 26 

2-(4,8,14- 

Trimethyltetradecyl)naphthalen 

e 

CCC(C)CCCC(C)CCCC(C)CCCc1ccc2ccccc2c1 

4- 

c1ccccc1c2ccc(CC(C)CCCC(C)CCCC(C)CCC)cc 

DAr 27 2,6,10trimethyltridecylbiphenyl 2 

2-(4,8,14-Trimethylpentadecyl) 

DAr 27 naphthalene 

CCCC(C)CCCC(C)CCCC(C)CCCc1ccc2ccccc2c1 

4- 

2,6,10trimethyltetradecylbiphen c1ccccc1c2ccc(CC(C)CCCC(C)CCCC(C)CCCC)c 

DAr 28 yl 

c2 

DAr 28 

DAr 29 

DAr 29 

DAr 30 

DAr 30 

DAr 33 

CCCCC(C)CCCC(C)CCCC(C)CCCc1ccc2ccccc2 

c1 

c1ccccc1c2ccc(CC(C)CCCC(C)CCCC(C)CCCCC 

)cc2 

C(C)CCCC(C)CCCC(C)CCCC(C)CCCc1ccc2cccc 

c2c1 

CCC(C)CCCC(C)CCCc1ccc2ccccc2c1 

Cc2cc1ccc(CCCC)cc1cc2C 

C(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCc1ccc 

2ccccc2c1 

2-(4,8,14-Trimethylhexadecyl) 

naphthalene 

4-(2,6,10trimethylpentadecyl) 

biphenyl 

2-(4,8,14,18-Tetramethylhexadecyl)naphthalene 

2-(4,8- 

Dimethyldecyl)naphthalene 

6-n-Butyl-2,3- 


2-(4,8,14,18-Tetramethylnonadecyl)naphthalene 

NDAr 12 Acenaphthene c12cccc(CC3)c1c3ccc2 

NDAr 13 Fluorene c1ccc2Cc3ccccc3c2c1 

NDAr 13 Methylacenaphthene c12cccc(CC3)c1c3c(C)cc2 

NDAr 14 Methylfluorene c1ccc2Cc3ccc(C)cc3c2c1 

NDAr 14 Tetrahydro-phenanthrene c1ccc2ccc3CCCCc3c2c1 

NDAr 14 Ethylacenaphthene c12cccc(CC3)c1c3c(CC)cc2 

NDAr 14 tetrahydro-phenanthrene c1ccc2ccc3CCCCc3c2c1 

NDAr 15 Ethylfluorene c1ccc2Cc3ccc(CC)cc3c2c1 

NDAr 15 

Methyl-tetrahydrophenanthrene 

c1ccc2ccc3CC(C)CCc3c2c1 

NDAr 15 iso-Propylacenaphthene c12cccc(CC3)c1c3c(C(C)C)cc2 

NDAr 15 n-Propylacenaphthene c12cccc(CC3)c1c3c(CCC)cc2 

NDAr 15 

methyl-tetrahydrophenanthrene 

c1ccc2ccc3CC(C)CCc3c2c1 

NDAr 16 iso-Propylfluorene c1ccc2Cc3ccc(C(C)C)cc3c2c1 

NDAr 16 n-Propylfluorene c1ccc2Cc3ccc(CCC)cc3c2c1 

NDAr 16 Ethyl-tetrahydro-phenanthrene c1ccc2ccc3CC(CC)CCc3c2c1 

NDAr 16 iso-Butylacenaphthene c12cccc(CC3)c1c3c(CC(C)C)cc2 

98

NDAr 16 n-Butylacenaphthene c12cccc(CC3)c1c3c(CCCC)cc2 

NDAr 16 1,2,3,6,7,8hexahydropyrene c1c(CC3)c2c(C3)ccc(CC4)c2c(C4)c1 

NDAr 16 

ethylheptyl-tetrahydrophenanthrene 

c1ccc2ccc3CC(CC)CCc3c2c1 

NDAr 17 Benzo(a)fluorene C3c1ccccc1c4ccc2ccccc2c34 

NDAr 17 iso-Butylfluorene c1ccc2Cc3ccc(CC(C)C)cc3c2c1 

NDAr 17 n-Butylfluorene c1ccc2Cc3ccc(CCCC)cc3c2c1 

NDAr 17 

iso-Propyl-tetrahydrophenanthrene 

c1ccc2ccc3CC(C(C)C)CCc3c2c1 

NDAr 17 

n-Propyl-tetrahydrophenanthrene 

c1ccc2ccc3CC(CCC)CCc3c2c1 

NDAr 17 iso-Pentylacenaphthene c12cccc(CC3)c1c3c(CCC(C)C)cc2 

NDAr 17 n-Pentylacenaphthene c12cccc(CC3)c1c3c(CCCCC)cc2 

NDAr 17 

Methyl-1,2,3,6,7,8- 


c1c(CC3(C))c2c(C3)ccc(CC4)c2c(C4)c1 

NDAr 17 propyl-tetrahydro-phenanthrene c1ccc2ccc3CC(CCC)CCc3c2c1 

NDAr 17 

isopropyl-tetrahydrophenanthrene 

c1ccc2ccc3CC(C(C)C)CCc3c2c1 

NDAr 18 Methyl-benzo(b)fluorene Cc1ccc2c3cc4ccccc4cc3Cc2c1 

NDAr 18 Methyl-benzo(a)fluorene C3c1cc(C)ccc1c4ccc2ccccc2c34 

NDAr 18 Octahydro-chyrsene c1ccc2ccc3C4CCCCC4CCc3c2c1 

NDAr 18 iso-Pentylfluorene c1ccc2Cc3ccc(CCC(C)C)cc3c2c1 

NDAr 18 n-Pentylfluorene c1ccc2Cc3ccc(CCCCC)cc3c2c1 

NDAr 18 iso-Hexylacenaphthylene c12cccc(C=C3)c1c3c(CCCC(C)C)cc2 

NDAr 18 

iso-Butyl-tetrahydrophenanthrene 

c1ccc2ccc3CC(CC(C)C)CCc3c2c1 

NDAr 18 

n-Butyl-tetrahydrophenanthrene 

c1ccc2ccc3CC(CCCC)CCc3c2c1 

NDAr 18 iso-Hexylacenaphthene c12cccc(CC3)c1c3c(CCCC(C)C)cc2 

NDAr 18 n-Hexylacenaphthene c12cccc(CC3)c1c3c(CCCCCC)cc2 

NDAr 18 hexahydroterphenyl C(c(cccc1)c1)(CC(c3ccccc3)CC2)C2 

NDAr 18 

Ethyl-1,2,3,6,7,8- 


c1c(CC3(CC))c2c(C3)ccc(CC4)c2c(C4)c1 

NDAr 18 butyl-tetrahydro-phenanthrene c1ccc2ccc3CC(CCCC)CCc3c2c1 

NDAr 18 

isobutyl-tetrahydrophenanthrene 

c1ccc2ccc3CC(C(C)CC)CCc3c2c1 

NDAr 19 Methyloctahydro-chyrsene c1ccc2ccc3C4CCC(C)CC4CCc3c2c1 

NDAr 19 iso-Hexylfluorene c1ccc2Cc3ccc(CCCC(C)C)cc3c2c1 

NDAr 19 n-Hexylfluorene c1ccc2Cc3ccc(CCCCCC)cc3c2c1 

NDAr 19 

iso-Pentyl-tetrahydrophenanthrene 

c1ccc2ccc3CC(CCC(C)C)CCc3c2c1 

NDAr 19 

n-Pentyl-tetrahydrophenanthrene 

c1ccc2ccc3CC(CCCCC)CCc3c2c1 

NDAr 19 iso-Heptylacenaphthene c12cccc(CC3)c1c3c(CCCCC(C)C)cc2 

NDAr 19 n-Heptylacenaphthene c12cccc(CC3)c1c3c(CCCCCCC)cc2 

NDAr 19 hexahydromethylterphenyl C(c(cc(C)cc1)c1)(CC(c3ccccc3)CC2)C2 

NDAr 19 

Propyl-1,2,3,6,7,8- 


c1c(CC3(CCC))c2c(C3)ccc(CC4)c2c(C4)c1 

NDAr 19 

isopentyl-tetrahydrophenanthrene 

c1ccc2ccc3CC(CC(C)CC)CCc3c2c1 

NDAr 20 Ethyl-octahydro-chyrsene c1ccc2ccc3C4CCC(CC)CC4CCc3c2c1 

NDAr 20 iso-Heptylfluorene c1ccc2Cc3ccc(CCCCC(C)C)cc3c2c1 

NDAr 20 n-Heptylfluorene c1ccc2Cc3ccc(CCCCCCC)cc3c2c1 

99

NDAr 20 

iso-Hexyltetrahydrophenanthrene 

c1ccc2ccc3CC(CCCC(C)C)CCc3c2c1 

NDAr 20 

n-Hexyltetrahydrophenanthrene 

c1ccc2ccc3CC(CCCCCC)CCc3c2c1 

NDAr 20 hexahydroethylterphenyl C(c(cc(CC)cc1)c1)(CC(c3ccccc3)CC2)C2 

NDAr 20 

Isobutyl-1,2,3,6,7,8- 


c1c(CC3(CC(C)C))c2c(C3)ccc(CC4)c2c(C4)c1 

NDAr 21 n-Butyl-benzo(b)fluorene CCCCc1ccc2c3cc4ccccc4cc3Cc2c1 

NDAr 21 iso-Propyl-octahydrochyrsene c1ccc2ccc3C4CCC(C(C)C)CC4CCc3c2c1 

NDAr 21 n-Propyloctahydro-chyrsene c1ccc2ccc3C4CCC(CCC)CC4CCc3c2c1 

NDAr 21 iso-Octylfluorene c1ccc2Cc3ccc(CCCCCC(C)C)cc3c2c1 

NDAr 21 n-Octylfluorene c1ccc2Cc3ccc(CCCCCCCC)cc3c2c1 

NDAr 21 

isohexyl-tetrahydrophenanthrene 

c1ccc2ccc3CC(CC(C)CCCC)CCc3c2c1 

NDAr 21 hexahydropropylterphenyl C(c(cc(CCC)cc1)c1)(CC(c3ccccc3)CC2)C2 

NDAr 21 

Isopentyl-1,2,3,6,7,8- 


c1c(CC3(CC(C)CC))c2c(C3)ccc(CC4)c2c(C4)c1 

NDAr 22 n-Hexylfluoranthene c24c(cc(CCCCCC)cc4)c1cccc3c1c2ccc3 

NDAr 22 iso-Butyloctahydro-chyrsene c1ccc2ccc3C4CCC(CC(C)C)CC4CCc3c2c1 

NDAr 22 n-Butyloctahydro-chyrsene c1ccc2ccc3C4CCC(CCCC)CC4CCc3c2c1 

NDAr 22 Dodecahydro-Picene 

C1(C=CC3=C2C=CC4=C3CCC5C4CCCC5)=C2 

CCCC1 

NDAr 22 

isoheptyl-tetrahydrophenanthrene 

c1ccc2ccc3CC(CC(C)CCCCC)CCc3c2c1 

NDAr 22 hexahydroisobutylterphenyl C(c(cc(CC(C)C)cc1)c1)(CC(c3ccccc3)CC2)C2 

NDAr 22 

Isohexyl-1,2,3,6,7,8- 


c1c(CC3(CC(C)CCC))c2c(C3)ccc(CC4)c2c(C4)c1 

NDAr 23 

2,6-dimethylheptyl-tetrahydrophenanthrene 

c1ccc2ccc3CC(CC(C)CCCC(C)C)CCc3c2c1 

NDAr 23 hexahydroisopentylterphenyl C(c(cc(CC(C)CC)cc1)c1)(CC(c3ccccc3)CC2)C2 

NDAr 23 isopentyloctahydro-chyrsene c1ccc2ccc3C4CCC(CC(C)CC)CC4CCc3c2c1 

Isoheptyl-1,2,3,6,7,8- 

c1c(CC3(CC(C)CCCC))c2c(C3)ccc(CC4)c2c(C4) 

NDAr 23 hexahydropyrene 

c1 

NDAr 23 Methyldodecahydro-Picene 


CC(C)CC1 

NDAr 24 

2,6-dimethyloctyl-tetrahydrophenanthrene 

c1ccc2ccc3CC(CC(C)CCCC(C)CC)CCc3c2c1 

NDAr 24 hexahydroisohexylterphenyl C(c(cc(CC(C)CCC)cc1)c1)(CC(c3ccccc3)CC2)C2 

NDAr 24 isohexyloctahydro-chyrsene c1ccc2ccc3C4CCC(CC(C)CCC)CC4CCc3c2c1 

Isoctyl-1,2,3,6,7,8- 

c1c(CC3(CC(C)CCCCC))c2c(C3)ccc(CC4)c2c(C4 


)c1 


CC(CC)CC1 

NDAr 24 Ethyldodecahydro-Picene 

2,6-dimethylnonyl-tetrahydrophenanthrene 

NDAr 25 

c1ccc2ccc3CC(CC(C)CCCC(C)CCC)CCc3c2c1 

NDAr 25 hexahydroterphenyl 

C(c(cc(CC(C)CCCC)cc1)c1)(CC(c3ccccc3)CC2)C 

2 

NDAr 25 isoheptyloctahydro-chyrsene c1ccc2ccc3C4CCC(CC(C)CCCC)CC4CCc3c2c1 

Dimethylheptyl-1,2,3,6,7,8- c1c(CC3(CC(C)CCCC(C)C))c2c(C3)ccc(CC4)c2c 


(C4)c1 

NDAr 25 Propyldodecahydro-Picene 

2,6-dimethyldecyl-tetrahydrophenanthrene 

NDAr 26 

NDAr 26 isooctyloctahydro-chyrsene 


CC(CCC)CC1 

c1ccc2ccc3CC(CC(C)CCCC(C)CCCC)CCc3c2c1 

c1ccc2ccc3C4CCC(CC(C)CCCCC)CC4CCc3c2c 

1 

100

NDAr 26 

Dimethyloctyl-1,2,3,6,7,8- 


NDAr 26 Isobutyldodecahydro-Picene 

2,6-dimethylundecyl-tetrahydrophenanthrene 

NDAr 27 

2,6-dimethylheptyloctahydrochrysene 

NDAr 27 

Dimethylnonyl-1,2,3,6,7,8- 


NDAr 27 Isopentyldodecahydro-Picene 

2,6,10-trimethylundecyltetrahydro-phenanthrene 

NDAr 28 

2,6-dimethyloctyloctahydrochrysene 

NDAr 28 

Dimethyldecyl-1,2,3,6,7,8- 


NDAr 28 Isohexyyldodecahydro-Picene 

2,6,10-trimethyldodecyltetrahydro-phenanthrene 

NDAr 29 

2,6-dimethylnonyloctahydrochrsene 

NDAr 29 

Dyimethylundecyl-1,2,3,6,7,8- 


NDAr 29 isoheptyldodecahydro-Picene 

2,6,10-trimethyltridecyltetrahydro-phenanthrene 

NDAr 30 

2,6-dimethyldecyloctahydrochrysene 

NDAr 30 

Trimethylundecyl-1,2,3,6,7,8- 


NDAr 30 isooctyldodecahydro-Picene 

c1c(CC3(CC(C)CCCC(C)CC))c2c(C3)ccc(CC4)c2 

c(C4)c1 


CC(CC(C)C)CC1 

c1ccc2ccc3CC(CC(C)CCCC(C)CCCCC)CCc3c2c 

1 

c1ccc2ccc3C4CCC(CC(C)CCCC(C)C)CC4CCc3c 

2c1 

c1c(CC3(CC(C)CCCC(C)CCC))c2c(C3)ccc(CC4) 

c2c(C4)c1 


CC(CC(C)CC)CC1 

c1ccc2ccc3CC(CC(C)CCCC(C)CCCC(C)C)CCc3 

c2c1 

c1ccc2ccc3C4CCC(CC(C)CCCC(C)CC)CC4CCc 

3c2c1 

c1c(CC3(CC(C)CCCC(C)CCCC))c2c(C3)ccc(CC4 

)c2c(C4)c1 


CC(CC(C)CCC)CC1 

c1ccc2ccc3CC(CC(C)CCCC(C)CCCC(C)CC)CCc 

3c2c1 

c1ccc2ccc3C4CCC(CC(C)CCCC(C)CCC)CC4CC 

c3c2c1 

c1c(CC3(CC(C)CCCC(C)CCCCC))c2c(C3)ccc(C 

C4)c2c(C4)c1 


CC(CC(C)CCCC)CC1 

c1ccc2ccc3CC(CC(C)CCCC(C)CCCC(C)CCC)C 

Cc3c2c1 

c1ccc2ccc3C4CCC(CC(C)CCCC(C)CCCC)CC4C 

Cc3c2c1 

c1c(CC3(CC(C)CCCC(C)CCCC(C)C))c2c(C3)ccc 

(CC4)c2c(C4)c1 


CC(CC(C)CCCCC)CC1 

PAr 12 Acenaphthylene c12cccc(C=C3)c1c3ccc2 

PAr 13 Methylacenaphthylene c12cccc(C=C3)c1c3c(C)cc2 

PAr 14 Anthracene c1ccc2cc3ccccc3cc2c1 

PAr 14 Phenanthrene c1ccc2ccc3ccccc3c2c1 

PAr 14 Ethylacenaphthylene c12cccc(C=C3)c1c3c(CC)cc2 

PAr 15 2-Methylphenanthrene c1cc2c3ccc(C)cc3ccc2cc1 

PAr 15 2-Methylanthracene Cc1ccc2cc3ccccc3cc2c1 

PAr 15 9-Methylanthracene CC1=C(C=CC=C3)C3=CC2=C1C=CC=C2 

PAr 15 iso-Propylacenaphthylene c12cccc(C=C3)c1c3c(C(C)C)cc2 

PAr 15 n-Propylacenaphthylene c12cccc(C=C3)c1c3c(CCC)cc2 

PAr 16 Pyrene c1(ccc3ccc4)cccc2ccc4c3c12 

PAr 16 1-Phenylnaphthalene c1ccc2cccc(c3ccccc3)c2c1 

PAr 16 Fluoranthene c24c(cccc4)c1cccc3c1c2ccc3 

PAr 16 2-Ethylphenanthrene c1cc2c3ccc(CC)cc3ccc2cc1 

PAr 16 1,2-Dimethylphenanthrene c1cc2c3ccc(C)c(C)c3ccc2cc1 

PAr 16 2,3-Dimethylphenanthrene c1cc2c3cc(C)c(C)cc3ccc2cc1 

PAr 16 2,4-Dimethylphenanthrene c1cc2c3c(C)cc(C)cc3ccc2cc1 

PAr 16 2,3-Dimethylanthracene Cc1c(C)cc2cc3ccccc3cc2c1 

101

PAr 16 2,4-Dimethylanthracene Cc1cc(C)c2cc3ccccc3cc2c1 

PAr 16 2,5-Dimethylanthracene Cc1ccc2c(C)c3ccccc3cc2c1 

PAr 16 2,6-Dimethylanthracene Cc1ccc2cc3c(C)cccc3cc2c1 

PAr 16 2,7-Dimethylanthracene Cc1ccc2cc3cc(C)ccc3cc2c1 

PAr 16 2-Ethylanthracene CCc1ccc2cc3ccccc3cc2c1 

PAr 16 iso-Butylacenaphthylene c12cccc(C=C3)c1c3c(CC(C)C)cc2 

PAr 16 n-Butylacenaphthylene c12cccc(C=C3)c1c3c(CCCC)cc2 

PAr 17 1-Phenyl-5-methylnaphthalene c1cc(C)c2cccc(c3ccccc3)c2c1 

PAr 17 Methylpyrene c1(ccc3cc(C)c4)cccc2ccc4c3c12 

PAr 17 Methylfluoranthene c24c(cc(C)cc4)c1cccc3c1c2ccc3 

PAr 17 2,3-Benzofluorene c1ccc2c3cc4ccccc4cc3Cc2c1 

PAr 17 2-iso-Propylphenanthrene c1cc2c3ccc(C(C)C)cc3ccc2cc1 

PAr 17 2-iso-Propylanthracene CC(C)c1ccc2cc3ccccc3cc2c1 

PAr 17 2-Propylphenanthrene c1cc2c3ccc(CCC)cc3ccc2cc1 

PAr 17 2-Propylanthracene CCCc1ccc2cc3ccccc3cc2c1 

PAr 17 2,3,4-Trimethylanthracene Cc1c(C)c(C)c2cc3ccccc3cc2c1 

PAr 17 2,3,5-Trimethylanthracene Cc1c(C)cc2c(C)c3ccccc3cc2c1 

PAr 17 2,3,6-Trimethylanthracene Cc1c(C)cc2cc3c(C)cccc3cc2c1 

PAr 17 iso-Pentylacenaphthylene c12cccc(C=C3)c1c3c(CCC(C)C)cc2 

PAr 17 n-Pentylacenaphthylene c12cccc(C=C3)c1c3c(CCCCC)cc2 

PAr 18 Triphenylene c1ccc2c3ccccc3c4ccccc4c2c1 

PAr 18 Benzo(ghi)fluoranthene c1ccc3c4cccc5c4c2c3c1ccc2cc5 

PAr 18 Cyclopenta(cd)pyrene C1=Cc2cc4cccc5ccc3ccc1c2c3c45 

PAr 18 Benz(a)anthracene c12c(cccc3)c3ccc1cc4c(cccc4)c2 

PAr 18 Chrysene c1ccc2ccc3c4ccccc4ccc3c2c1 

PAr 18 1-Phenyl-5-ethylnaphthalene c1cc(CC)c2cccc(c3ccccc3)c2c1 

PAr 18 Ethylpyrene c1(ccc3cc(CC)c4)cccc2ccc4c3c12 

PAr 18 Ethylfluoranthene c24c(cc(CC)cc4)c1cccc3c1c2ccc3 

PAr 18 2-iso-Butylphenanthrene c1cc2c3ccc(CC(C)C)cc3ccc2cc1 

PAr 18 2-iso-Butylanthracene CC(C)Cc1ccc2cc3ccccc3cc2c1 

PAr 18 Tetrahydro-chyrsene c1ccc2ccc3c4CCCCc4ccc3c2c1 

PAr 18 

1-Methyl-7- 

isopropylphenanthrene 

c(ccc1c(ccc2C(C)C)c3c2)c(C)c1cc3 

PAr 18 2-Butylphenanthrene c1cc2c3ccc(CCCC)cc3ccc2cc1 

PAr 18 2-Butylanthracene CCCCc1ccc2cc3ccccc3cc2c1 

PAr 18 1,2-Diethylphenanthrene c1cc2c3ccc(CC)c(CC)c3ccc2cc1 

PAr 18 2,3-Diethylphenanthrene c1cc2c3cc(CC)c(CC)cc3ccc2cc1 

PAr 18 2,4-Diethylphenanthrene c1cc2c3c(CC)cc(CC)cc3ccc2cc1 

PAr 18 2,3-Diethylanthracene CCc1c(CC)cc2cc3ccccc3cc2c1 

PAr 18 2,4-Diethylanthracene CCc1cc(CC)c2cc3ccccc3cc2c1 

PAr 18 2,5-Diethylanthracene CCc1ccc2c(CC)c3ccccc3cc2c1 

PAr 18 2,6-Diethylanthracene CCc1ccc2cc3c(CC)cccc3cc2c1 

PAr 18 2,7-Diethylanthracene CCc1ccc2cc3cc(CC)ccc3cc2c1 

PAr 18 1,2,3,4-Tetramethylanthracene Cc1c(C)c(C)c2cc3ccccc3cc2c1C 

PAr 18 1,2,3,5-Tetramethylanthracene Cc1c(C)cc2c(C)c3ccccc3cc2c1C 

PAr 18 n-Hexylacenaphthylene c12cccc(C=C3)c1c3c(CCCCCC)cc2 

PAr 19 2-Methylchrysene c4c(C)cc3ccc2c1ccccc1ccc2c3c4 

PAr 19 Methylbenz(a)anthracene c12c(cccc3)c3ccc1cc4c(cc(C)cc4)c2 

PAr 19 Methyltriphenylene Cc1ccc2c3ccccc3c4ccccc4c2c1 

PAr 19 Methylbenzo(ghi)fluoranthene c1c(C)cc3c4cccc5c4c2c3c1ccc2cc5 

PAr 19 Ethyl-benzo(b)fluorene CCc1ccc2c3cc4ccccc4cc3Cc2c1 

102

PAr 19 Ethylbenzo(a)fluorene C3c1cc(CC)ccc1c4ccc2ccccc2c34 

PAr 19 

1-Phenyl-5-isopropylnaphthalene 

c1cc(C(C)C)c2cccc(c3ccccc3)c2c1 

PAr 19 iso-Propylpyrene c1(ccc3cc(C(C)C)c4)cccc2ccc4c3c12 

PAr 19 1-Phenyl-5-propylnaphthalene c1cc(CCC)c2cccc(c3ccccc3)c2c1 

PAr 19 n-Propylpyrene c1(ccc3cc(CCC)c4)cccc2ccc4c3c12 

PAr 19 n-Propylfluoranthene c24c(cc(CCC)cc4)c1cccc3c1c2ccc3 

PAr 19 Methyl-tetrahydro-chrysene c1ccc2ccc3c4CCC(C)Cc4ccc3c2c1 

PAr 19 2-(2-Methylbutyl)phenanthrene c1cc2c3ccc(CC(C)CC)cc3ccc2cc1 

PAr 19 2-iso-Pentylphenanthrene c1cc2c3ccc(CCC(C)C)cc3ccc2cc1 

PAr 19 2-iso-Pentylanthracene CC(C)CCc1ccc2cc3ccccc3cc2c1 

PAr 19 2-Pentylphenanthrene c1cc2c3ccc(CCCCC)cc3ccc2cc1 

PAr 19 2-Pentylanthracene CCCCCc1ccc2cc3ccccc3cc2c1 

PAr 19 iso-Heptylacenaphthylene c12cccc(C=C3)c1c3c(CCCCC(C)C)cc2 

PAr 19 n-Heptylacenaphthylene c12cccc(C=C3)c1c3c(CCCCCCC)cc2 

PAr 19 methyltetrahydro-chyrsene c1ccc2ccc3c4CCC(C)Cc4ccc3c2c1 

PAr 20 Tetrahydroperylene c12cccc4c1c(c3cccc5c3C4CCC5)ccc2 

PAr 20 Benzo(b)fluoranthene c12ccccc1cc3c4ccccc4c5c3c2ccc5 

PAr 20 1-Naphthyl-1-naphthalene c1ccc2ccccc2c1c3c4ccccc4ccc3 

PAr 20 2-Naphthyl-1-naphthalene c1ccc2ccccc2c1c3cc4ccccc4cc3 

PAr 20 Benzo(k)fluoranthene c2ccc1cc3c(cc1c2)c4cccc5cccc3c45 

PAr 20 Benzo(a)pyrene c(c(c(cc1)ccc2)c2cc3)(c3cc(c4ccc5)c5)c14 

PAr 20 Perylene c12cccc4c1c(c3cccc5c3c4ccc5)ccc2 

PAr 20 Benzo(e)pyrene c1ccc2c(c1)c4cccc5ccc3cccc2c3c45 

PAr 20 2-Ethylchrysene c4c(CC)cc3ccc2c1ccccc1ccc2c3c4 

PAr 20 Ethylbenz(a)anthracene c12c(cccc3)c3ccc1cc4c(cc(CC)cc4)c2 

PAr 20 Ethyltriphenylene CCc1ccc2c3ccccc3c4ccccc4c2c1 

PAr 20 Ethylbenzo(ghi)fluoranthene c1c(CC)cc3c4cccc5c4c2c3c1ccc2cc5 

PAr 20 n-Propyl2,3-benzofluorene CCCc1ccc2c3cc4ccccc4cc3Cc2c1 

PAr 20 n-Propylbenzo(a)fluorene C3c1cc(CCC)ccc1c4ccc2ccccc2c34 

PAr 20 

1-Phenyl-5-isobutylnaphthalene 

c1cc(CC(C)C)c2cccc(c3ccccc3)c2c1 

PAr 20 iso-Butylpyrene c1(ccc3cc(CC(C)C)c4)cccc2ccc4c3c12 

PAr 20 1-Phenyl-5-butylnaphthalene c1cc(CCCC)c2cccc(c3ccccc3)c2c1 

PAr 20 n-Butylpyrene c1(ccc3cc(CCCC)c4)cccc2ccc4c3c12 

PAr 20 n-Butylfluoranthene c24c(cc(CCCC)cc4)c1cccc3c1c2ccc3 

PAr 20 Ethyl-tetrahydro-chyrsene c1ccc2ccc3c4CCC(CC)Cc4ccc3c2c1 

PAr 20 

2-(2-Methylpentyl) 

phenanthrene 

c1cc2c3ccc(CC(C)CCC)cc3ccc2cc1 

PAr 20 2-iso-Hexylphenanthrene c1cc2c3ccc(CCCC(C)C)cc3ccc2cc1 

PAr 20 2-iso-Hexylanthracene CC(C)CCCc1ccc2cc3ccccc3cc2c1 

PAr 20 2-Hexylphenanthrene c1cc2c3ccc(CCCCCC)cc3ccc2cc1 

PAr 20 2-Hexylanthracene CCCCCCc1ccc2cc3ccccc3cc2c1 

PAr 20 1,2-Dipropylphenanthrene c1cc2c3ccc(CCC)c(CCC)c3ccc2cc1 

PAr 20 2,3-Dipropylphenanthrene c1cc2c3cc(CCC)c(CCC)cc3ccc2cc1 

PAr 20 2,4-Dipropylphenanthrene c1cc2c3c(CCC)cc(CCC)cc3ccc2cc1 

PAr 20 ethyltetrahydro-chyrsene c1ccc2ccc3c4CCC(CC)Cc4ccc3c2c1 

PAr 21 Methyltetrahydroperylene Cc2cc1cccc4c1c(c3cccc5c3C4CCC5)c2 

PAr 21 3-Methylcholanthrene c(c(ccc1C)cc(c2ccc3cccc4)c34)(c1CC5)c25 

PAr 21 

Methyl1-naphthyl-1- 

naphthalene 

c1ccc2cc(C)ccc2c1c3c4ccccc4ccc3 

103

PAr 21 

Methyl2-naphthyl-1- 

naphthalene 

c1ccc2cc(C)ccc2c1c3cc4ccccc4cc3 

PAr 21 Methylbenzo(a)pyrene c(c(c(cc1)ccc2)c2cc3)(c3cc(c4ccc5C)c5)c14 

PAr 21 Methylperylene Cc2cc1cccc4c1c(c3cccc5c3c4ccc5)c2 

PAr 21 Methylbenzo(b)fluoranthene c12ccccc1cc3c4cc(C)ccc4c5c3c2ccc5 

PAr 21 Methylbenzo(k)fluoranthene Cc2ccc1cc3c(cc1c2)c4cccc5cccc3c45 

PAr 21 Methylbenzo(e)pyrene c1ccc2c(c1)c4cccc5ccc3cc(C)cc2c3c45 

PAr 21 2-iso-Propylchrysene c4c(C(C)C)cc3ccc2c1ccccc1ccc2c3c4 

PAr 21 iso-Propylbenz(a)anthracene c12c(cccc3)c3ccc1cc4c(cc(C(C)C)cc4)c2 

PAr 21 iso-Propyltriphenylene CC(C)c1ccc2c3ccccc3c4ccccc4c2c1 

PAr 21 2-Propylchyrsene c4c(CCC)cc3ccc2c1ccccc1ccc2c3c4 

PAr 21 n-Propylbenz(a)anthracene c12c(cccc3)c3ccc1cc4c(cc(CCC)cc4)c2 

PAr 21 n-Propyltriphenylene CCCc1ccc2c3ccccc3c4ccccc4c2c1 

PAr 21 Propylbenzo(ghi)fluoranthene c1c(CCC)cc3c4cccc5c4c2c3c1ccc2cc5 

PAr 21 n-Butylbenzo(a)fluorene C3c1cc(CCCC)ccc1c4ccc2ccccc2c34 

PAr 21 

1-Phenyl-5-isopentylnaphthalene 

c1cc(CCC(C)C)c2cccc(c3ccccc3)c2c1 

PAr 21 iso-Pentylpyrene c1(ccc3cc(CCC(C)C)c4)cccc2ccc4c3c12 

PAr 21 1-Phenyl-5-pentylnaphthalene c1cc(CCCCC)c2cccc(c3ccccc3)c2c1 

PAr 21 n-Pentylpyrene c1(ccc3cc(CCCCC)c4)cccc2ccc4c3c12 

PAr 21 n-Pentylfluoranthene c24c(cc(CCCCC)cc4)c1cccc3c1c2ccc3 

PAr 21 iso-Propyl-tetrahydro-chyrsene c1ccc2ccc3c4CCC(C(C)C)Cc4ccc3c2c1 

PAr 21 Propyl-tetrahydro-chyrsene c1ccc2ccc3c4CCC(CCC)Cc4ccc3c2c1 

PAr 21 2-(2-Methylhexyl)phenanthrene c1cc2c3ccc(CC(C)CCCC)cc3ccc2cc1 

PAr 21 2-iso-Heptylphenanthrene c1cc2c3ccc(CCCCC(C)C)cc3ccc2cc1 

PAr 21 2-iso-Heptylanthracene CC(C)CCCCc1ccc2cc3ccccc3cc2c1 

PAr 21 2-Heptylphenanthrene c1cc2c3ccc(CCCCCCC)cc3ccc2cc1 

PAr 21 2-Heptylanthracene CCCCCCCc1ccc2cc3ccccc3cc2c1 

PAr 21 propyltetrahydro-chyrsene c1ccc2ccc3c4CCC(CCC)Cc4ccc3c2c1 

PAr 22 Benzo(b)chrysene c1cc2cc3c4ccc5ccccc5c4ccc3cc2cc1 

PAr 22 1,2,5,6-Dibenzanthracene c(c(c(c(c1)ccc2)c2)cc(c3c(c(c4)ccc5)c5)c4)(c1)c3 

PAr 22 Ethyltetrahydroperylene CCc2cc1cccc4c1c(c3cccc5c3C4CCC5)c2 

PAr 22 Indeno(1,2,3-cd)pyrene c(c(c(c(ccc1)c2)c1cc3)c3cc4)(c2c(c5ccc6)c6)c45 

PAr 22 Benzo(ghi)perylene c1(c(cc6)ccc3ccc4ccc5)c3c4c5c2c1c6ccc2 

PAr 22 Picene c1cc2c3ccc4c5ccccc5ccc4c3ccc2cc1 

PAr 22 Ethyl1-Naphthyl-1-naphthalene c1ccc2cc(CC)ccc2c1c3c4ccccc4ccc3 

PAr 22 Ethyl2-Naphthyl-1-naphthalene c1ccc2cc(CC)ccc2c1c3cc4ccccc4cc3 

PAr 22 Ethylbenzo(a)pyrene c(c(c(cc1)ccc2)c2cc3)(c3cc(c4ccc5CC)c5)c14 

PAr 22 Ethylperylene CCc2cc1cccc4c1c(c3cccc5c3c4ccc5)c2 

PAr 22 Ethylbenzo(b)fluoranthene c12ccccc1cc3c4cc(CC)ccc4c5c3c2ccc5 

PAr 22 Ethylbenzo(k)fluoranthene CCc2ccc1cc3c(cc1c2)c4cccc5cccc3c45 

PAr 22 Ethylbenzo(e)pyrene c1ccc2c(c1)c4cccc5ccc3cc(CC)cc2c3c45 

PAr 22 2-iso-Butylchrysene c4c(CC(C)C)cc3ccc2c1ccccc1ccc2c3c4 

PAr 22 iso-Butylbenz(a)anthracene c12c(cccc3)c3ccc1cc4c(cc(CC(C)C)cc4)c2 

PAr 22 iso-Butyltriphenylene CC(C)Cc1ccc2c3ccccc3c4ccccc4c2c1 

PAr 22 Tetrahydro-Picene c12ccc3c(ccc4c3ccc5c4cccc5)c1CCCC2 

PAr 22 2-Butylchyrsene c4c(CCCC)cc3ccc2c1ccccc1ccc2c3c4 

PAr 22 n-Butylbenz(a)anthracene c12c(cccc3)c3ccc1cc4c(cc(CCCC)cc4)c2 

PAr 22 n-Butyltriphenylene CCCCc1ccc2c3ccccc3c4ccccc4c2c1 

PAr 22 Butylbenzo(ghi)fluoranthene c1c(CCCC)cc3c4cccc5c4c2c3c1ccc2cc5 

PAr 22 n-Pentyl2,3-benzofluorene CCCCCc1ccc2c3cc4ccccc4cc3Cc2c1 

104

PAr 22 n-Pentylbenzo(a)fluorene C3c1cc(CCCCC)ccc1c4ccc2ccccc2c34 

PAr 22 

1-Phenyl-5-isohexylnaphthalene 

c1cc(CCCC(C)C)c2cccc(c3ccccc3)c2c1 

PAr 22 iso-Hexylpyrene c1(ccc3cc(CCCC(C)C)c4)cccc2ccc4c3c12 

PAr 22 1-Phenyl-5-hexylnaphthalene c1cc(CCCCCC)c2cccc(c3ccccc3)c2c1 

PAr 22 n-Hexylpyrene c1(ccc3cc(CCCCCC)c4)cccc2ccc4c3c12 

PAr 22 iso-Butyl-tetrahydro-chyrsene c1ccc2ccc3c4CCC(CC(C)C)Cc4ccc3c2c1 

PAr 22 Butyl-tetrahydro-chyrsene c1ccc2ccc3c4CCC(CCCC)Cc4ccc3c2c1 

PAr 22 

2-(2-Methylheptyl) 

phenanthrene 

c1cc2c3ccc(CC(C)CCCCC)cc3ccc2cc1 

PAr 22 2-iso-Octylphenanthrene c1cc2c3ccc(CCCCCC(C)C)cc3ccc2cc1 

PAr 22 Octahydro-Picene 

C12=CC=C3C(C=CC4=C3C=CC5=C4CCCC5)=C 

1CCCC2 

PAr 22 2-Octylphenanthrene c1cc2c3ccc(CCCCCCCC)cc3ccc2cc1 

PAr 22 Octadecahydro-picene 


1CCCC2 

PAr 23 iso-Propyltetrahydroperylene CC(C)c2cc1cccc4c1c(c3cccc5c3C4CCC5)c2 

PAr 23 n-Propyltetrahydroperylene CCCc2cc1cccc4c1c(c3cccc5c3C4CCC5)c2 

PAr 23 Methylpicene c1cc2c3ccc4c5ccccc5ccc4c3ccc2cc1C 

PAr 23 Methylbenzo(ghi)perylene c1(c(c(C)c6)ccc3ccc4ccc5)c3c4c5c2c1c6ccc2 

PAr 23 iso-Propylperylene CC(C)c2cc1cccc4c1c(c3cccc5c3c4ccc5)c2 

PAr 23 iso-Propylbenzo(e)pyrene c1ccc2c(c1)c4cccc5ccc3cc(C(C)C)cc2c3c45 

PAr 23 

Propyl1-Naphthyl-1- 

naphthalene 

c1ccc2cc(CCC)ccc2c1c3c4ccccc4ccc3 

PAr 23 

Propyl2-Naphthyl-1- 

naphthalene 

c1ccc2cc(CCC)ccc2c1c3cc4ccccc4cc3 

PAr 23 Propylbenzo(a)pyrene c(c(c(cc1)ccc2)c2cc3)(c3cc(c4ccc5CCC)c5)c14 

PAr 23 n-Propylperylene CCCc2cc1cccc4c1c(c3cccc5c3c4ccc5)c2 

PAr 23 n-Propylbenzo(b)fluoranthene c12ccccc1cc3c4cc(CCC)ccc4c5c3c2ccc5 

PAr 23 Propylbenzo(k)fluoranthene CCCc2ccc1cc3c(cc1c2)c4cccc5cccc3c45 

PAr 23 n-Propylbenzo(e)pyrene c1ccc2c(c1)c4cccc5ccc3cc(CCC)cc2c3c45 

PAr 23 2-iso-Pentylchrysene c4c(CCC(C)C)cc3ccc2c1ccccc1ccc2c3c4 

PAr 23 2-Pentylchrysene c4c(CCCCC)cc3ccc2c1ccccc1ccc2c3c4 

PAr 23 Methyltetrahydro-picene c12ccc3c(ccc4c3ccc5c4ccc(C)c5)c1CCCC2 

PAr 23 Pentylbenzo(ghi)fluoranthene c1c(CCCCC)cc3c4cccc5c4c2c3c1ccc2cc5 

PAr 23 

1-Phenyl-5-isoheptylnaphthalene 

c1cc(CCCCC(C)C)c2cccc(c3ccccc3)c2c1 

PAr 23 iso-Heptylpyrene c1(ccc3cc(CCCCC(C)C)c4)cccc2ccc4c3c12 

PAr 23 1-Phenyl-5-heptylnaphthalene c1cc(CCCCCCC)c2cccc(c3ccccc3)c2c1 

PAr 23 n-Heptylpyrene c1(ccc3cc(CCCCCCC)c4)cccc2ccc4c3c12 

PAr 23 2-(2-Methyloctyl)phenanthrene c1cc2c3ccc(CC(C)CCCCCC)cc3ccc2cc1 

PAr 23 2-iso-Pentylchrysene c4c(CCC(C)C)cc3ccc2c1ccccc1ccc2c3c4 

PAr 23 isopentyltetrahydro-chrysene c1ccc2ccc3c4CCC(CC(C)CC)Cc4ccc3c2c1 

PAr 23 Methyl-octadecahydro-picene 


1CC(C)CC2 

PAr 23 Methyltetrahydro-picene c12ccc3c(ccc4c3ccc5c4ccc(C)c5)c1CCCC2 

PAr 24 1-Naphthyl-2-anthracene c1ccc2ccccc2c1c3cc4cc5ccccc5cc4cc3 

PAr 24 Benzo-perylene c12cccc5c1c(c4cccc6c4c5ccc6)cc3c2cccc3 

PAr 24 iso-Butyltetrahydroperylene CC(C)Cc2cc1cccc4c1c(c3cccc5c3C4CCC5)c2 

PAr 24 n-Butyltetrahydroperylene CCCCc2cc1cccc4c1c(c3cccc5c3C4CCC5)c2 

PAr 24 Coronene c1cc3ccc4ccc5ccc6ccc7ccc1c2c7c6c5c4c23 

PAr 24 Ethylpicene c1cc2c3ccc4c5ccccc5ccc4c3ccc2cc1CC 

PAr 24 Ethylbenzo(ghi)perylene c1(c(c(CC)c6)ccc3ccc4ccc5)c3c4c5c2c1c6ccc2 

105

PAr 24 iso-Butylperylene CC(C)Cc2cc1cccc4c1c(c3cccc5c3c4ccc5)c2 

PAr 24 Butylbenzo(a)pyrene c(c(c(cc1)ccc2)c2cc3)(c3cc(c4ccc5CCCC)c5)c14 

PAr 24 n-Butylperylene CCCCc2cc1cccc4c1c(c3cccc5c3c4ccc5)c2 

PAr 24 

2-(2,4-dimethyloctyl) 

phenanthrene 

c1cc2c3ccc(CC(C)CCCC(C)CC)cc3ccc2cc1 

PAr 24 2-iso-Hexylchrysene c4c(CCC(C)CC)cc3ccc2c1ccccc1ccc2c3c4 

PAr 24 isohexyltetrahydro-chyrsene c1ccc2ccc3c4CCC(CC(C)CCC)Cc4ccc3c2c1 

PAr 24 Ethyl-octadecahydro-picene 


1CC(CC)CC2 

PAr 24 Ethyltetrahydro-picene c12ccc3c(ccc4c3ccc5c4ccc(CC)c5)c1CCCC2 

PAr 25 Methylbenzo-perylene Cc6cc2c(cc6)c1cccc4c1c(c3cccc5c3c4ccc5)c2 

PAr 25 iso-Pentyltetrahydroperylene CC(C)CCc2cc1cccc4c1c(c3cccc5c3C4CCC5)c2 

PAr 25 n-Pentyltetrahydroperylene CCCCCc2cc1cccc4c1c(c3cccc5c3C4CCC5)c2 

PAr 25 iso-Propylpicene c1cc2c3ccc4c5ccccc5ccc4c3ccc2cc1C(C)C 

PAr 25 n-Propylpicene c1cc2c3ccc4c5ccccc5ccc4c3ccc2cc1CCC 

PAr 25 Propylbenzo(ghi)perylene c1(c(c(CCC)c6)ccc3ccc4ccc5)c3c4c5c2c1c6ccc2 

PAr 25 

2-(2,4-dimethylnonyl) 

phenanthrene 

c1cc2c3ccc(CC(C)CCCC(C)CCC)cc3ccc2cc1 

PAr 25 2-iso-Heptylchrysene c4c(CCC(C)CCC)cc3ccc2c1ccccc1ccc2c3c4 

PAr 25 Isopentyl-benzo(a)pyrene 

c(c(c(cc1)ccc2)c2cc3)(c3cc(c4ccc5CC(C)CC)c5)c 

14 

PAr 25 isoheptyltetrahydro-chrysene c1ccc2ccc3c4CCC(CC(C)CCCC)Cc4ccc3c2c1 

PAr 25 Propyl-octadecahydro-picene 


1CC(CCC)CC2 

PAr 25 Propyltetrahydro-picene c12ccc3c(ccc4c3ccc5c4ccc(CCC)c5)c1CCCC2 

PAr 26 Ethylbenzo-perylene CCc6cc2c(cc6)c1cccc4c1c(c3cccc5c3c4ccc5)c2 

PAr 26 

2-(2,4-dimethyldecyl) 

phenanthrene 

c1cc2c3ccc(CC(C)CCCC(C)CCCC)cc3ccc2cc1 

PAr 26 2-iso-Octylchrysene c4c(CCC(C)CCCC)cc3ccc2c1ccccc1ccc2c3c4 

PAr 26 Isohexyl-benzo(a)pyrene 

c(c(c(cc1)ccc2)c2cc3)(c3cc(c4ccc5CC(C)CCC)c5 

)c14 

PAr 26 isooctyltetrahydro-chrysene c1ccc2ccc3c4CCC(CC(C)CCCCC)Cc4ccc3c2c1 

PAr 26 Isobutyl-octadecahydro-picene 


1CC(CC(C)C)CC2 

PAr 26 isohexyltetrahydroperylene CCC(C)CCc2cc1cccc4c1c(c3cccc5c3C4CCC5)c2 

PAr 26 Isobutyltetrahydro-picene 

c12ccc3c(ccc4c3ccc5c4ccc(CC(C)C)c5)c1CCCC 

2 

PAr 26 dibenzo(b,k)chrysene c5c6ccccc6cc2c5c1c(c3cc4c(cc3cc1)cccc4)cc2 

PAr 27 

2-(2,4- 

dimethylundecyl)phenanthrene c1cc2c3ccc(CC(C)CCCC(C)CCCCC)cc3ccc2cc1 

PAr 27 2-(3,6-dimethylheptyl)chrysene c4c(CCC(C)CCC(C)C)cc3ccc2c1ccccc1ccc2c3c4 

PAr 27 Isoheptyl-benzo(a)pyrene 

c(c(c(cc1)ccc2)c2cc3)(c3cc(c4ccc5CC(C)CCCC)c 

5)c14 

PAr 27 Propylbenzo-perylene CCCc6cc2c(cc6)c1cccc4c1c(c3cccc5c3c4ccc5)c2 

2,6-dimethylheptyl-tetrahydrochrysene 

c1 

c1ccc2ccc3c4CCC(CC(C)CCCC(C)C)Cc4ccc3c2 

PAr 27 

PAr 27 Isopentyl-octadecahydro-picene 


1CC(CC(C)CC)CC2 

PAr 27 isoheptyltetrahydroperylene 

CCCC(C)CCc2cc1cccc4c1c(c3cccc5c3C4CCC5) 

c2 

PAr 27 Isopentyltetrahydro-picene 

c12ccc3c(ccc4c3ccc5c4ccc(CC(C)CC)c5)c1CCC 

C2 

2-(2,4-dimethyldodecyl) 

c1cc2c3ccc(CC(C)CCCC(C)CCCC(C)C)cc3ccc2c 

PAr 28 phenanthrene 

c1 

PAr 28 2-(3,6-dimethyloctyl)chrysene 

c4c(CCC(C)CCC(C)CC)cc3ccc2c1ccccc1ccc2c3c 

4 

PAr 28 Isooctyl-benzo(a)pyrene 

c(c(c(cc1)ccc2)c2cc3)(c3cc(c4ccc5CC(C)CCCCC 

)c5)c14 

106

PAr 28 Isohexyl-octadecahydro-picene 

PAr 28 isoctyltetrahydroperylene 

PAr 29 2-(3,6-dimethylnonyl)chrysene 

PAr 29 Dimethylheptyl-benzo(a)pyrene 

PAr 28 Isobuylbenzo-perylene 

2,6-dimethyloctyltetrahydrochyrsene 

PAr 28 

PAr 28 Isohexyltetrahydro-picene 

benzo(p)naphtho(1,8,7- 

PAr 28 ghi)chrysene 

2-(2,4,10-trimethyldodecyl) 

PAr 29 Phenanthrene 

PAr 29 Isopentylbenzo-perylene 

2,6-dimethylnonyltetrahydrochyrsene 

PAr 29 

PAr 29 Isoheptyl-octadecahydro-picene 

dimethyheptyltetrahydroperylene 

PAr 29 

PAr 29 Isoheptyltetrahydro-picene 

2-(2,4,10- 

PAr 30 trimethyltridecyl)phenanthrene 

PAr 30 2-(3,6-dimethyldecyl)chrysene 

PAr 30 Dimethyloctyl-benzo(a)pyrene 

PAr 30 Isohexylbenzo-perylene 

2,6-dimethyldecyltetrahydrochrysene 

PAr 30 

PAr 30 Isooctyl-octadecahydro-picene 

PAr 30 dimethyoctyltetrahydroperylene 

PAr 30 Isooctyltetrahydro-picene 

2-(2,4,10-trimethyltetradecyl) 

PAr 31 phenanthrene 

PAr 31 2-(3,6-dimethylheptyl)chrysene 

C(C)CCc6cc2c(cc6)c1cccc4c1c(c3cccc5c3c4ccc5 

)c2 

c1ccc2ccc3c4CCC(CC(C)CCCC(C)CC)Cc4ccc3c 

2c1 


1CC(CC(C)CCC)CC2 

CCCCC(C)CCc2cc1cccc4c1c(c3cccc5c3C4CCC5 

)c2 

c12ccc3c(ccc4c3ccc5c4ccc(CC(C)CCC)c5)c1CC 

CC2 

c1cc6cccc7c6c2c(c4c7c3c(c5c4cccc5)cccc3)cccc 

12 

c1cc2c3ccc(CC(C)CCCC(C)CCCC(C)CC)cc3ccc 

2cc1 

c4c(CCC(C)CCC(C)CCC)cc3ccc2c1ccccc1ccc2c 

3c4 

c(c(c(cc1)ccc2)c2cc3)(c3cc(c4ccc5CC(C)CCCC( 

C)C)c5)c14 

CC(C)CCc6cc2c(cc6)c1cccc4c1c(c3cccc5c3c4cc 

c5)c2 

c1ccc2ccc3c4CCC(CC(C)CCCC(C)CCC)Cc4ccc3 

c2c1 


1CC(CC(C)CCCC)CC2 

C(C)CCCC(C)CCc2cc1cccc4c1c(c3cccc5c3C4C 

CC5)c2 

c12ccc3c(ccc4c3ccc5c4ccc(CC(C)CCCC)c5)c1C 

CCC2 

c1cc2c3ccc(CC(C)CCCC(C)CCCC(C)CCC)cc3cc 

c2cc1 

c4c(CCC(C)CCC(C)CCCC)cc3ccc2c1ccccc1ccc2 

c3c4 

c(c(c(cc1)ccc2)c2cc3)(c3cc(c4ccc5CC(C)CCCC( 

C)CC)c5)c14 

CCC(C)CCc6cc2c(cc6)c1cccc4c1c(c3cccc5c3c4c 

cc5)c2 

c1ccc2ccc3c4CCC(CC(C)CCCC(C)CCCC)Cc4cc 

c3c2c1 


1CC(CC(C)CCCCC)CC2 

CC(C)CCCC(C)CCc2cc1cccc4c1c(c3cccc5c3C4 

CCC5)c2 

c12ccc3c(ccc4c3ccc5c4ccc(CC(C)CCCCC)c5)c1 

CCCC2 

c1cc2c3ccc(CC(C)CCCC(C)CCCC(C)CCCC)cc3c 

cc2cc1 

c4c(CCC(C)CCC(C)CCCCC)cc3ccc2c1ccccc1ccc 

2c3c4 

107

Appendix 2. Description of BCF calculations derived from BCFBAF module using Arnot 

Model 

The equations below are taken from Appendix K in BCFBAF users manual: 

log BCF 

upper 

log((1 Lb 

 

( k2 

kE 

upper 

upper 

upper 

) ( k1 

kG 

upper 

upper 

) 

kM 

upper 

) 

1 

where, 

, X poc = X doc = 510 -7 

(1 (0.35 

X K ) (0.08 X K ) 

poc 

OW 

doc 

OW 

k1 

upper 

 

((0.01 

1 

1 

K 

OW 

) W 

0.4 

upper 

, where W upper = 1.53 = upper trophic level fish weight 

) 

k2 

kD 

upper 

upper 

k1 

 

( Lb 

upper 

upper 

K 

OW 

0.15 

(0.02 Wupper 

e 

 

(0.00000005 

K 

, where Lb upper = 0.107 = lipid content in upper trophic level fish 

) 

(0.06 

OW 

T 

) 

) 

, where T = temperature = 10 C 

2) 

kE 

0 . 125 

upper 

kD upper 

kG 

upper 

0.000502 W 

0.2 

upper 

kM 

upper 

0.693 

 

Wupper 

( HLN ( ) 

0.01 

0.25 

, where HLN = half-life normalized 

) 

108

Appendix 3. CONCAWE Position Paper on the 

Environmental Assessment of Metabolites derived from 

Petroleum Substances for PBT purposes 

Summary 

In conducting a PBT assessment of hydrocarbon substances, the Hydrocarbon Block 

(HCB) Method is used (EC, 2003) together with predictive tools for assessing the 

primary half-life. In the following paper the consequences of this for assessing major 

metabolites is discussed. The review shows that all hydrocarbons must degrade (under 

oxic conditions) by first forming ketone, aldehyde and subsequently carboxylate and 

hydroxyl substituents. A further assessment demonstrates that for all the major classes of 

hydrocarbons, the major metabolites formed are in all cases less toxic, less persistent and 

less bioaccumulative than the parent molecule. Consequently it can be concluded that for 

PBT assessment purposes, the metabolites of hydrocarbons are not required to be further 

assessed. 

Introduction 

Petroleum substances typically contain hydrocarbons that exhibit large differences in 

physico-chemical and fate properties. These properties define the pattern of emissions 

and differential environmental distribution of the constituent hydrocarbons, and 

consequently it is not possible to define a unique predicted exposure concentration (PEC) 

for a petroleum substance. Furthermore, it is not possible to directly apply current risk 

assessment guidance developed for individual substances to complex petroleum 

substances. To provide a sound technical basis to assess environmental exposure and 

risks of petroleum substances, CONCAWE devised the Hydrocarbon Block Method in 

which constituent hydrocarbons with similar properties are treated as pseudo-components 

or "blocks" for which PECs and predicted no effect concentrations (PNECs) can be 

determined (CONCAWE, 1996). Risks are then assessed by summing the PEC/PNEC 

ratios of the constituent blocks. While this conceptual approach has been adopted by the 

EU as regulatory guidance (EC, 2003) experience in applying this method was limited. 

Recent studies demonstrate the utility of the HCB method to gasoline (MacLeod et al. 

2004, McGrath et al. 2004; Foster et al. 2005) and further work has been on-going to 

support the practical implementation of the HCB methodology to higher boiling 

petroleum substances that pose an environmental hazard. Utilising the basic approach 

described in these papers, the generic approach (as described in Comber et al, 2006) has 

been developed and is in the process of being written up. 

One of the issues that arise in such risk assessments, whether of single substances or 

hydrocarbon blocks, is the environmental impact of any metabolites that are formed. In 

order to assess this issue, the first task is to understand the range of hydrocarbon 

structures and thus the type of structures that would be involved in generating 

metabolites. There are four major classes of hydrocarbons to be addressed: 

paraffins/alkanes; iso-paraffins; naphthenics (cyclic alkanes) and aromatic structures, 

which will also include polyaromatic compounds. Within these basic classes there is an 

109

infinite number of structures including many variations and combinations of the classes 

and with increasing boiling point of a petroleum substance, this complexity will increase. 

For the purpose of this review only the basic structures will be evaluated and it is 

assumed that the application of this information to the more complex structures will be 

similar. 

The principle methods of predicting the metabolites utilises two sources of information; 

- the WWW and especially the site of the University of Minnesota 

- CATABOL and other published QSARs for biodegradation that predict metabolites 

To assess the potential for increased concern with metabolites over their parent 

compounds, either EPIsuite (US EPA 2009) or the OECD Tool Box (v1.1 

http://www.oecd.org/document/54/0,3343,en_2649_34379_42923638_1_1_1_1,00.html# 

Download_qsar_application_toolbox) or specific QSAR models e.g. OASIS, were used. 

In all cases the approach was based on a comparison with the parent compound. It is 

assumed that if the metabolite was less toxic, or more degradable than the parent 

compound, then the risk assessments of petroleum substances being undertaken by 

CONCAWE will be sufficiently protective of any metabolites that could be formed. 

Similarly, for a PBT assessment, the metabolites were firstly compared to the parent 

molecule and only for those parent molecules that may have a potential PBT concern 

were the metabolites further assessed for their specific PBT properties. The models and 

the basic approach are further outlined in the section below. Individual sections address 

each of the principle classes of hydrocarbons. 

1. Models and assessments 

1.1 Prediction of the metabolites 

For the purposes of this paper two sources of information were used. The first source 

was the World Wide Web and especially the site of the University of Minnesota (Ellis et 

al. 2006), at http://umbbd.msi.umn.edu/. This site contains information on over 900 

compounds, over 600 enzymes, nearly 1000 reactions and about 350 microorganism 

entries. There is a Pathway Prediction System (PPS) which is an open system for 

predicting microbial catabolism of organic compounds. Graphical display of PPS rules, a 

stand-alone version of the PPS and guidance for PPS users are also being developed. 

These references and others have been used to describe the general mechanisms by which 

hydrocarbons are degraded and hence the typical metabolites formed. 

The second source of information was the model CATABOL (Jaworska et al. 2002, 

supplied by the Laboratory of Mathematical Chemistry, Bourgas, http://oasis-lmc.org/). 

CATABOL is a degradation simulator, which includes a library of hierarchically ordered 

individual transformations (abiotic and enzymatic reactions) and a matching substructure 

engine providing their subsequent performance. The catabolic steps are derived from a 

set of most plausible metabolic pathways, predicted by experts for each chemical from 

the training set. The MITI-I database is used for that purpose, and provides the largest 

structural diversity and most consistent biodegradability assessments (O 2 yield during 

OECD 301 C test) among existing data collections. Subsequently, the transformation 

110

probabilities are adjusted to best reproduce documented degradation pathways for over 

500 chemicals. The model predicts biodegradation pathways and primary/ultimate halflives 

as well as the simulation of integral biodegradation data, such as BOD, CO2 

production and the level of the different metabolites. This model (and others) are further 

discussed in the next section here the models for addressing the metabolites are 

described. 

1.2 Predicting the PBT properties of metabolites compared to parent 

compounds 

To do this assessment a series of molecules were assessed using the OASIS Laboratory of 

the Mathematical Chemistry models (LMC). These are described below. 

1.2.1 OASIS LMC models: Environmental fate and Ecotoxicity 

1.2.1.1. Catalogic BOD model (OECD 301 C) 

This is based on an expert system in which predicted biotransformation pathways are 

combined with a probabilistic model that calculates the probabilities of individual 

transformations. The principal catabolic steps are derived from a set of metabolic 

pathways predicted for each chemical from the training set, 1078 chemicals of MITI I 

(OECD 301 C) database were used as a training set. The output is given as percentage of 

the theoretical biochemical oxygen demand (Jaworska et al., 2002). The system predicts 

the catabolic pathways, the level of stable metabolites and their physical-chemical and 

toxic endpoint values. The primary and ultimate half-lives are calculated. 

1.2.1.2. Catalogic BOD model (OECD 301 F) 

The model predicts the integral biodegradation estimates as BOD and CO2 production for 

OECD 301F protocol by simulating the metabolic pathways. Primary and ultimate halflives 

are predicted. The magnitudes of metabolites as well as BOD are defined as a 

function of time. The model is based on a training set with 488 kinetic biodegradation 

curves provided by industry (e.g. BASF, ExxonMobil, Givaudan, Dow Chemical). 

1.2.1.3. BCF Base Line Model 

A refined BCF Base Line Model is used to predict bioaccumulation potential of the tested 

chemicals. The maximum bioaccumulation (i.e., highest log BCF) for a given 

lipophilicity (i.e., log Kow value) is exhibited by chemicals ignoring their bioavailability 

and metabolism. The maximum potential for bioconcentration is further reduced by 

different factors: organism dependent (like metabolism) and chemical properties 

dependent like molecular size, ionization, water solubility and others). Metabolism, 

molecular size, ionization and water solubility are accounted explicitly in the model as 

used. 

The training set of the model contains 706 chemicals covering variety of chemical 

classes: alkanes, alkenes, mono- and di- aromatic hydrocarbons, polycyclic aromatic 

hydrocarbons, polychlorinated dibenzo-furans, polychlorinated dibenzodioxins, 

polychlorinated biphenyls, cycloalkanes and cycloalkenes, chloroaromatic chemicals, 

perfluorinated acids, chlorinated biphenyl ethers, aliphatic esters, and chloroorganic 

chemicals (Dimitrov et al. 2005a, 2005b and 2007). 

111

1.2.1.4. Acute aquatic toxicity model 

Utilizing an acute toxicity database for guppies, Verhaar et al. (1992) delineated the 

classes of inert, less inert, reactive, and specifically-acting chemicals, and provided the 

chemical rules for discrimination of the first three groups. Using a broader set of 

chemicals tested with fathead minnow in combination with concordant information about 

the primary mode of toxic action, Russom et al. (1997) established seven toxicodynamic 

categories, including three types of narcosis-acting chemicals, oxidative phosphorylation 

uncouplers, reactive electrophiles/pro-electrophiles, acetylcholinesterase inhibitors and 

central nervous seizure agents. The two independently developed classification schemes 

bear common features. Both systems delineate inert chemicals, or Type I narcotics, less 

inert chemicals, or Type II narcotics, and reactive electrophiles/proelectrophiles. 

Categorization of chemicals according to their mode of action (MOA) was further 

adopted by LMC by postulating the so-called toxic response surface. In this approach 2- 

D structural information is used only to identify the MOA of chemicals. Based on 

theoretical and empiric knowledge the following seven hierarchically ordered MOA are 

distinguished: 

Reactive Unspecified 

Aldehydes 

alpha, beta-Unsaturated alcohols 

Phenols and anilines 

Esters 

Narcotic amines 

Basesurface (non-polar) narcotics 

The toxicity of chemicals showing different MOA is predicted on the basis of 

interspecies models with the following mathematical structure (Dimitrov et al. 2000, 

2003 and 2004): 

log 

Species 

1/ 

C b b BCF 

 

b R 

1 

0 

log 

tox 

2 

where BCF tox is the bioconcentration factor corrected for the effect of internal organisms 

water phase [10], R is a global or local reactivity parameter specific for each MOA, C is 

the concentration in mol/l causing specific toxic effect, such as 50% lethality, 

Species 

immobilization, inhibition of bioluminescence, etc., and 

b 0 

, 

b 1 , and 

b2 

are adjusted 

model parameters. Chemicals with an unknown MOA or with insufficient number of 

data for model building are classified in the category Reactive Unspecified MOA. For 

these chemicals the minimum toxicity is predicted by making use of the model for nonpolar 

narcotics: 

log 

1/ 

C 

 

log1 

C 

 

Re activeUnspecified 

/ 

Non 

polarnar cot ics 

The applicability domain of chemicals with Reactive Unspecified MOA is not estimated. 

112

1.2.2 OASIS LMC Models: Toxicological models - Protein/DNA Based 

1.2.2.1. Simulating Metabolism 

A probabilistic approach to simulating metabolism was developed in LMC. The 

approach is based on the sets of hierarchically ordered principal molecular 

transformations used to simulate the specific metabolic fate of chemicals. Databases of 

documented metabolic pathways for different environmental niches, such as aerobic 

microbial degradation or rat liver metabolism, were collected. This empiric knowledge 

was used to extract specific molecular transformations to simulate metabolism, assess 

their probability of occurrence and their reliability. Due to the limited quantitative 

metabolism data reported for some tissue compartments, such as skin, the quantification 

of transformations was assigned also on the basis of expert knowledge. The quantitative 

assessment of the principal transformations is an advantage of this approach to simulate 

metabolism in terms of confining the propagation of metabolic pathways, prioritization of 

generated metabolites and defining the applicability domain of simulators. The 

developed software systems CATABOL and TIMES (see section 1.2.2.2 for further 

details) provide not only ability to model biodegradation or bioaccumulation of chemicals 

but also a unique ability to merge metabolism simulation with specific toxic endpoints as 

acute aquatic toxicity, skin sensitization, mutagenicity, estrogenicity, etc. The 

compilation of traditional (Q)SARs for assessing toxic endpoints with metabolism 

simulators and estimates of the applicability domains affords a new perspective in the 

(Q)SAR methodology. 

Two metabolism models have been developed recently in the lab simulating molecular 

transformations in skin and rat liver S9. 

1.2.2.2. Skin Sensitization Model 

Skin sensitization potential depends upon the ability of chemicals to react with skin 

proteins either directly or after appropriate metabolism. The model was built as a 

composite of two sub models: 

Skin metabolism simulator - The metabolic simulator was constructed to mimic the 

enzyme activation of chemicals in the skin. It contains hierarchically ordered 

spontaneous and enzyme controlled reactions. The formation of macromolecular 

immunogens was used to identify probable structural alerts in parent chemicals or 

their metabolites. 

COREPA 3D-QSARs /COmmon REactivity PAttern/ for intrinsic reactivity of 

compounds having substructures associated with activity: these models depend on 

both the structural alert and the rate of skin sensitization. Steric effect around the 

active site, molecular size, shape, solubility, lipophilicity, and electronic properties 

are taken into account. These models generally may involve combinations of 

molecular parameters or descriptors, which trigger the alerting group. 

The model was derived from a data set compiled from chemicals tested in the LLNA 

(local lymph node assay), GPMT (guinea pig maximization test) and BgVV list (German 

Federal Institute for Health Protection of Consumers and Veterinary Medicine). Skin 

sensitization potency for these chemicals was assigned to one of three classes: strong, 

weak or nonsensitizing. For chemicals whose potency was assessed by more than one 

113

method, the LLNA value was accepted as representative for the structure; where the 

LLNA test was not available, the GPMT value was taken (Patlewicz et al., 2007, Roberts 

et al., 2007). 

1.2.2.3. AMES Mutagenicity model 

The mutagenicity model (Serafimova et al., 2006) was derived on the basis of 345 

chemicals that were found experimentally to be positive without S-9 metabolic system 

and a further 2357 chemicals – including 2012 negatives, and 397 positives with S-9 

system. The simulator used for predicting metabolic activation of chemicals under S-9 is 

in fact predicting a mammalian liver metabolism where the settings of the simulator were 

adjusted in a way to avoid missing mutagenic metabolites. The simulator used in the 

model mimics formation of enzyme complexes and channeling effects. According to the 

adopted modeling scheme, the target chemicals are submitted to a metabolic simulator 

and generated metabolites are subsequently screened by the 3D QSAR model to identify 

mutagenic metabolites. 

1.2.2.4. Model for Chromosomal aberrations 

The model for chromosomal aberrations (CA) accounts for two principal types of 

interaction mechanisms – interactions with DNA and interactions with proteins or nuclear 

enzymes (Mekenyan et al., 2007). The model is used to predict metabolism in rat liver. 

The alerting groups associated with these mechanisms are defined by specific structural 

boundaries as well as by 2D and 3D parameter ranges describing effects of bioavailability 

and reactivity alerts that are conditioned by the rest of the molecule. The model was 

derived on the basis of 497 (166 positive and 331 negative) chemicals that have 

experimental data without S-9 metabolic system and other 162 chemicals – including 81 

positives, and 81 negatives with S-9 system. The performance of the model without 

metabolic activation was characterized by sensitivity and specificity values of 77% and 

82%, respectively. For the model coupled with the metabolic simulator (trained to 

reproduce documented maps for mammalian (mainly rat) liver metabolism of 332 

chemicals), the performance is 75% and 60% for sensitivity and specificity respectively. 

1.2.3 OASIS LMC Models: Toxicological models - Receptor mediated effects 

1.2.3.1. Androgen Binding Affinity QSAR model 

Some of the environmental and industrial chemicals can interact with the androgen 

receptor (AR) by mimicking the functions of natural hormones. The multiparameter 

formulation of COmmon REactivity PAttern (COREPA) (Mekenyan et al., 2004) 

approach was used to describe the structural requirements for eliciting androgen potency. 

A structurally diverse training data set containing 202 chemicals was obtained from the 

National Center for Toxicology Research (NCTR, US). The chemical affinities for the rat 

AR were related to distances between nucleophilic sites and structural features describing 

electronic interactions between the receptor and ligands. 

1.2.3.2. Estrogen binding affinity QSAR model 

The multiparameter formulation of COmmon REactivity PAttern (COREPA) (Mekenyan 

et al., 2004) approach was used to describe the structural requirements for eliciting 

estrogen binding potency. A training set of 645 chemicals which includes 497 steroid and 

114

environmental chemicals (database of Chemical Evaluation and Research Institute, Japan 

- CERI) and 148 chemicals to further explore hER-structure interactions (selected J. 

Katzenellenbogen references) were used. Analysis of the reactivity patterns resulted in 

identification of distinct interaction types: a steroid-like A–B type described by frontier 

orbital energies and distance between nucleophilic sites with specific charge 

requirements; an A–C type where local hydrophobic effects are combined with electronic 

interactions to modulate binding; and mixed A–B–C (AD) type. Chemicals were grouped 

by type, then COREPA models were developed for within specific relative binding 

affinity ranges greater then 10%, 0.1

ioaccumulative than the parent molecules. This is partly borne out by the predictive 

methods, where (Table 1) it can be seen that certainly the bioaccumulative behaviour is 

significantly reduced by 2 to 3 orders of magnitude when compared to the parent 

molecule. 

2.3 Naphthenics (Cyclo-alkanes) 

Cyclic alkanes are relatively resistant to microbial attack, as the absence of an exposed 

terminal methyl group complicates the primary attack (Fritsche and Hofrichter, 2000). 

The mechanism of cyclohexane degradation is again generally via the alcohol and in 

general, alkyl side chains of cyclo-alkanes facilitate degradation. The pattern noted for 

the toxicity or biodegradation is variable, and led to more toxic and/or persistent 

metabolites. However, without exception, the predicted effect of these changes is to lead 

to significant reductions in the bioaccumulative behaviour of the metabolites, of the order 

of one to over three orders of magnitude. 

Given the properties of certain naphthenic type structures, it was decided to further 

investigate the naphthenics in more detail. The results of this are shown in Table 1, 

where many more structures were addressed, but instead only at one carbon number, i.e. 

C15. Exactly the same result has been obtained in these predictions, with variable 

changes being observed to the toxicity and/or persistency of the metabolites, but a 

consistent one to three orders of magnitude decline in the bioaccumulative behaviour 

when compared with the parent molecules. 

It should be concluded therefore that there is no reason to believe that any metabolites of 

these structures is likely to be B or vB, and hence they will not be either PBT or vPvB. 

2.4 Aromatic compounds 

Given that a large number of aromatic compounds are formed by organisms, e.g., as 

aromatic amino acids, phenols, or quinines, it is not surprising that many microorganisms 

have evolved catabolic pathways to degrade them. It can be assumed that in general 

petrochemical molecules can be degraded by microorganisms, when the respective 

molecules are similar to other natural compounds and are converted enzymatically to 

natural intermediates of the degradation: catechol and protecatechuate (Fritsche and 

Hofrichter, 2000). While the introduction of aliphatic substituents will alter the point of 

attack, it should not be anticipated that the products of that attack will be significantly 

different. 

Again the pattern noted for the toxicity or biodegradation is variable, and does in some 

cases lead to more toxic and/or persistent metabolites. However, without exception, the 

predicted effect of these changes is to lead to reductions in the bioaccumulative 

behaviour of the metabolites by two to three orders of magnitude (Table 1). 

2.4.1 Polyaromatic compounds 

The biochemical pathway for the aerobic biodegradation of PAHs has been extensively 

investigated. It is understood that the initial step in the aerobic catabolism of a PAH 

molecule by bacteria uses a multicomponent enzyme system to oxidise the PAH to a 

116

dihydrodiol. These dihydroxylated intermediates may then be processed through either an 

ortho cleavage type of pathway, in which ring fission occurs between the two 

hydroxylated carbon atoms, or a meta- cleavage type of pathway, which involves 

cleavage of the bond adjacent to the hydroxyl groups, leading to central intermediates 

such as protocatechates and catechols. These compounds are further converted to 

tricarboxylic acid cycle intermediates (van der Meer et al. 1992). For the lower molecular 

weight PAHs, the most common route involves the fission into a C3 compound and a 

hydroxyl aromatic acid compound. The aromatic ring can thereafter either undergo direct 

fission or can be subjected to decarboxylation, leading to the formation of a 

dihydroxylated compound. This compound can be dissimilated as described above. When 

degraded via these pathways, the low molecular weight PAHs can be completely 

mineralized to CO 2 and H 2 O (Volkering and Breure, 2003). 

The following observations were made by Volkering and Breure (2003); 

- Many bacterial and fungal species have the enzymatic capacity to oxidise PAHs 

- The aerobic transformation of PAHs always involve incorporation of oxygen into the 

molecule 

- The initial step is usually performed via a dioxygenase and forms a dihydrodiol 

Their conclusions were that the transformation products of PAHs were in general more 

polar than the parent and that there were metabolites that were potentially harmful to 

mammals and could also have important environmental consequences. 

-bonding orbitals, which results in the 

absorption of light in the UV/far blue region of the spectrum that is present in solar radiation 

(Nikolaou et al. 1984; Newsted and Giesy 1987; Larson and Berenbaum 1988; Krylov et al. 

1997). Absorption of light energy can alter the toxicity of these compounds through two 

different mechanisms: photosensitization and photomodification (Krylov et al. 1997). 

Photosensitization generally leads to the production of singlet oxygen, and other reactive 

oxygen species (ROS), which are capable of damaging biological molecules (Foote 1991). 

Photomodification of PAHs is defined here as photooxidation and photolysis, and results in 

the formation of new compounds with increased polarity, and in many cases, increased 

toxicity (Zhu et al. 1995; Duxbury et al. 1997; Mallakin et al. 2000; Brack et al. 2003; 

Shimada et al. 2004; Lampi et al. 2006). 

Photosensitization has been widely documented in environmental toxicology, particularly 

with respect to homo- and heterocyclic PAHs (Mekenyan et al. 1994; Wiegman et al. 

2002, Diamond et al. 2006). These compounds are ideal photosensitizers, and are able to 

absorb environmentally relevant wavelengths of radiation (Krylov et al. 1997). The 

photosensitized production of highly reactive, and biologically damaging singlet oxygen 

is an important, and well-studied aspect of PAH phototoxicity (Larson and Berenbaum 

1988). 

Singlet oxygen-induced biological damage is not the only mechanism of PAH 

phototoxicity. Many PAHs can undergo subsequent reactions with oxygen (Mallakin et 

al. 2000), forming new compounds that may be more toxic and/or mutagenic than the 

117

parent PAH (McCoy et al. 1979; Nikolaou et al.1984; Brack et al. 2003; Lampi et al. 

2006). 

Photodegradation via photolysis is a major source of elimination of PAHs from various 

environmental compartments (Nikolaou et al. 1984), however, this is not the only 

pathway that occurs. For instance, anthracene, which is a known photosensitizer, is able 

to form the photoproduct 9,10-anthraquinone (ATQ) (Fox and Olive 1979; Nikolaou et 

al. 1984; Mallakin et al. 2000). There are a wide variety of other oxyPAHs that are 

formed via PAH photomodification. Some of these include phenanthrenequinone 

(McConkey et al. 1997), many hydroxylated anthraquinones (Mallakin et al. 2000; Brack 

et al. 2003), and a host of other unidentified compounds, resulting from the 

photomodification of a variety of PAHs (Huang et al. 1997). 

There is little specific data available to evaluate the persistence and bioaccumulation of 

specific PAH photodegradation products. However, accompanying photomodification, 

which is generally via oxygenation, should lead to an increase in susceptibility to 

biotransformation in a similar manner to that observed after phase I metabolism by the 

mixed function oxidases (Prince and Walters, 2006) which will minimise the risk of 

persistence and bioaccumulation of such compounds. 

In evaluating the toxicity of PAH photoproducts or metabolites, one must consider that 

they will be less hydrophobic than the parent PAHs, although some hydrophobicity 

remains, thereby facilitating partitioning in biological membranes (Krylov et al. 1997; 

McConkey et al. 1997). They can then manifest toxicity to a variety of organisms through 

specific and non-specific mechanisms (Chesis et al. 1984; Bondy et al. 1994; Zhu et al. 

1995; Huang et al. 1997; Li et al. 2000; Shimada et al. 2004). There are few reports of the 

presence of photoproducts or metabolites in the aquatic environment (Marvin et al. 2000; 

Lampi et al. 2001; Machala et al. 2001; Papadoyannis et al. 2002; Kurihara et al. 2005), 

and although in some cases, concentrations may reach that close to the parent (Kurihara 

et al. 2005) or interact with co-contaminants (Xie et al. 2006), other work (Lampi et al. 

2007) has shown that the contribution of photomodification, although significant, is 

outweighed by that of photosensitisation, which is the greatest contributing factor to 

photoinduced toxicity, and is already considered in the toxicity assessment of PAHs (e.g. 

EU 2008). 

Given the increase in polar groups and increase in potential for metabolism, PAH 

metabolites should not be considered persistent or bioaccumulative substances. There is a 

potential for toxicity of PAH metabolites, but this is less than the potential for effects 

from photosensitized generation of reactive oxygen species, and is considered in PAH 

hazard assessment. Thus PAH metabolites should not be considered PBT substances. 

118

Table 1 : PBT assessment of C15 structure metabolites when 

compared to the parent structures 

Name Class LogKow L(E)C50 Primary Bioacumulation 

half-life 

2-Methyltetradecane BrAlkane 7.63 

Metabolite 1 -0.02 +++ >

Table 2 : PBT assessment of C11 – C19 monocyclic naphthenic 

metabolites when compared to the parent structures 

Name C# LogKow L(E)C50 Primary Bioacumulation 

half-life 

n-Heptylcyclopentane 12 6.05 

Metabolite 1 1.87 +++ >>>> >> > > < 

Metabolite 3 2.36 + >>>> >>> < 

1-cyclohexyl 4,8 dimethyl undecane 19 9.34 

Metabolite 1 8.10 < 

Metabolite 2 8.10 < 

120

1: The following structures were predicted to have no stable metabolites: n-hexylcyclopentane, isohexylcyclopentane, 

1,2,3,4-tetraethylcyclohexane, iso-nonylcyclohexane, 1,5-dimethyl-1-(3,7- 

dimethyloctyl)cyclohexane, 1,5-dimethyl-1-(3,7-dimethylnonyl)cyclohexane 

2: each symbol indicates the order of magnitude greater or less for the metabolite when compared to the 


121

REFERENCES 

Bondy GS, Armstrong CL, Dawson BA, Heroux-Metcalf C, Neville GA, Rogers CG. 

(1994). Toxicity of structurally related anthraquinones and anthrones to mammalian cells 

in vitro. Toxicology in Vitro 8:329-335. 

Brack W, Altenburger R, Kuster E, Meissner B, Wenzel K-D, Schüürmann G. (2003). 

Identification of toxic products of anthracene photomodification in simulated sunlight. 

Environmental Toxicology and Chemistry 22:2228-2237. 

Chesis PL, Levin DE, Smith MT, Ernster L, Ames BN. 1984. Mutagenicity of quinones: 

Pathways of Metabolic activation and detoxification. Proceedings of the National 

Academy of Sciences, USA. 81:1696-1700. 

Comber M, Dmytrasz B, Eadsforth C, King D, Parkerton T, Toy R. (2006). Developing a 

Generic risk assessment methodology for petroleum products - Poster presented at 

SETAC, Den Hague, the Netherlands. 

Diamond SA, Mount DR, Mattson VR, Heinis LJ. (2006). Photoactivated polycyclic 

aromatic hydrocarbon toxicity in medaka (Oryzias latipes) embryos: Relevance to 

environmental risk in contaminated sites. Environmental Toxicology and Chemistry. 

25:3015-3023. 

Dimitrov SD, Mekenyan OG, Schultz TW. (2000). Interspecies modeling of narcotics 

toxicity to aquatic animals. Bulletin of Environmental Contamination and Toxicology. 

65:399-406. 

Dimitrov SD, O. G. Mekenyan, J.D. Walker. (2002). Non-linear modeling of 

bioconcentration factor usibg partition coefficient for narcotic chemicals, SAR and 

QSAR in Environmental Research. 13:177-184. 

Dimitrov SD, Mekenyan OG, Sinks GD, Schultz TW. (2003). Global modeling of 

narcotic chemicals: ciliate and fish toxicity, Journal of Molecular Structure: 

THEOCHEM, 622:63-70. 

Dimitrov S, Koleva Y, Schultz TW, Walker JD, Mekenyan O. (2004). Interspecies 

quantitative structure activity-relationship model for aldehydes: aquatic toxicity. 


Dimitrov SD, Dimitrova N, Parkerton TF, Comber M, Bonnell M, Mekenyan O. (2005a). 

Base –line model for identifying the bioaccumulation potential of chemicals, SAR QSAR 

Environ Res 16:531-554. 

Dimitrov SD, Dimitrova N, Pavlov T, Dimitrova N, Patlelwicz G, Niemela J, Mekenyan 

O. (2005b). A stepwise approach for defining the applicability domain of SAR and 

QSAR Models. Journal of Chemical Inference and Modeling. 45:839-849. 

122

Dimitrov SD, Dimitrova N, Mekenyan O. (2007). BCF Base Line Model for Predicting 

Bioaccumulation: New modification. SETAC Europe 17th Annual Meeting, 20-24 May, 

2007, Porto, Portugal. 

Duxbury CL, Dixon DG, Greenberg BM. (1997). Effects of simulated solar radiation on 

the bioaccumulation of polycyclic aromatic hydrocarbons by the duckweed Lemna 

gibba. Environmental Toxicology and Chemistry. 16:1739-1748. 

EC. (2003). 2nd Edition of the Technical Guidance Document in support of Commission 

Directive 93/67/EEC on Risk Assessment of new notified substances, Commission 

Regulation (EC) No 1488/94 on Risk Assessment for existing substances and Directive 

98/8/EC of the European Parliament and of the Council concerning the placing of 

biocidal products on the market. Office for the Official Publications of the European 

Communities, Luxembourg. 

EU. (2008). European Union Risk Assessment Report, Anthracene. 

http://ecb.jrc.ec.europa.eu/esis/ 

Ellis LBM, Roe D, Wackett LP. (2006). The University of Minnesota 

Biocatalysis/Biodegradation Database: The First Decade. Nucleic Acids Research 34: 

D517-D521. 

Foote CS. (1991). Definition of type I and type II photosensitized oxidation. 

Photochemistry and Photobiology. 54:659. 

Fox MA, Olive S. (1979). Photooxidation of anthracene on atmospheric particulate 

matter. Science 205:582-583. 

Foster KL, Mackay D, Parkerton TF, Webster E, Milford L. (2005). Five-stage 

environmental exposure assessment strategy for mixtures: Gasoline as a case study, 

Environmental Science and Technology. 39:2711-2718. 

Fritsche W, Hofrichter M. (2000). Aerobic degradation by microorganisms. In: Rehm, 

H.-J., Reed, G. (Eds.) Biotechnology - Vol. 11b: Environmental Processes. Wiley-VCH, 

Weinheim, New York, pp. 145-167. 

Huang X-D, Krylov SN, Ren L, McConkey BJ, Dixon DG, Greenberg BM. (1997). 

Mechanistic quantitative structure-activity relationship model for the photoinduced 

toxicity of polycyclic aromatic hydrocarbons: II. An empirical model for the toxicity of 

16 polycyclic aromatic hydrocarbons to the duckweed Lemna gibba L. G-3. 


Jaworska J, Dimitrov S, Nikolova N, Mekenyan O. (2002). Probabilistic Assessment of 

Biodegradability Based on Metabolic Pathways: CATABOL System, SAR and QSAR in 

Environmental Research. 13:307-323. 

123

Kachholz T, Rehm H. (1977). Degradation of long chain alkanes by bacilli. I. 

Development and product formation by bacilli degrading alkanes in the presence of other 

carbon sources, Appl Microbiol Biotechnol 4:101-110 

Krylov SN, Huang X-D, Zeiler LF, Dixon DG, Greenberg BM. (1997). Mechanistic 

quantitative structure-activity relationship model for the photoinduced toxicity of 

polycyclic aromatic hydrocarbons: I. Physical model based on chemical kinetics in a twocompartment 

system. Environmental Toxicology and Chemistry. 16:2283-2295. 

Kurihara R, Shiraishi F, Tanaka N, Hashimoto S. (2005). Presence and estrogenicity of 

anthracene derivatives in coastal Japanese waters. Environmental Toxicology and 

Chemistry. 24:1984-1993. 

Lampi MA, Huang X-D, El-Alawi YS, McConkey BJ, Dixon DG, Greenberg BM. 

(2001). Occurrence and toxicity of photomodified polycyclic aromatic hydrocarbon 

mixtures present in contaminated sediments. In: Greenberg BM, Hull RN, Roberts MH, 

Gensemer RW, editors. Environmental Toxicology and Risk Assessment: Science, Policy, 

and Standardization - Implications for Environmental Decisions. American Society for 

Testing and Materials, West Conshohocken, PA, USA, pp. 211-220. 

Lampi MA, Gurska J, McDonald KIC, Xie F, Huang X-D, Dixon DG. (2006). 

Photoinduced toxicity of PAHs to Daphnia magna: UV-mediated effects and the toxicity 

of PAH photoproducts. Environmental Toxicology and Chemistry. 25:1079-1087. 

Lampi MA, Gurska J, Huang X-D, Dixon DG, Greenberg BM. (2007). A predictive 

quantitative structure-activity relationship model for the photoinduced toxicity of 

polycyclic aromatic hydrocarbons to Daphnia magna with the use of factors for 

photosensitization and photomodification. Environmental Toxicology and Chemistry. 

26:406-415. 

Larson RA, Berenbaum MR. (1988). Environmental phototoxicity. Environmental 

Science and Technology 22:354-360. 

Li N, Venkatesan MI, Miguel A, Kaplan R, Gujuluva C, Alam J, Nel A. 2000. Induction 

of heme oxygenase-1 expression in macrophages by diesel exhaust particle chemicals and 

quinones via the antioxidant-responsive element. Journal of Immunology. 165:3393- 

3401. 

Marvin CH, McCarry BE, Villella J, Allan LM, Bryant DW. (2000). Chemical and 

biological profiles of sediments as indicators of sources of genotoxic contamination in 

Hamilton Harbour. Part I: Analysis of polycyclic aromatic hydrocarbons and thia-arene 

compounds. Chemosphere. 41:979-988. 

Machala M, Giganek M, Blaha L, Minksova K, Vondrack J. (2001). Aryl hydrocarbon 

receptor-mediated and estrogenic activities of oxygenated polycyclic aromatic 

124

hydrocarbons and azaarenes originally identified in extracts of river sediments. 


MacLeod M, McKone TE, Foster K, Maddalena RL, Parkerton TF, Mackay D. (2004). 

Applications of contaminant fate and bioaccumulation models in assessing ecological 

risks of chemicals: A case study for gasoline hydrocarbons. Environmental Science and 

Technology. 38:6225-6233. 

Mallakin A, Dixon DG, Greenberg BM. (2000). Pathway of anthracene modificaton 

under simulated solar radiation. Chemosphere. 40:1435-1441. 

McConkey BJ, Duxbury CL, Dixon DG, Greenberg BM. (1997). Toxicity of a PAH 

photooxidation product to the bacteria Photobacterium phosphoreum and the duckweed 

Lemna gibba: Effects of phenanthrene and its primary photoproduct, 

phenanthrenequinone. Environmental Toxicology and Chemistry. 16:892-899. 

McCoy EC, Hyman J, Rosenkranz HS. (1979). Conversion of Environmental Pollutant to 

Mutagens by Visible Light. Biochemical and Biophysical Research Communications. 

89:729-734. 

McGrath JA, Parkerton TF, Di Toro DM. (2004). Application of the narcosis target lipid 

model to algal toxicity and deriving predicted no effect concentrations. Environmental 

Toxicology and Chemistry. 23:2503–2517. 

Mekenyan OG, Ankley GT, Veith GD, Call DJ. (1994). QSARs for photoinduced 

toxicity: I. Acute lethality of polycyclic aromatic hydrocarbons to Daphnia magna. 

Chemosphere 28:567-582. 

Mekenyan O, Nikolova N, Schmieder P, Veith G. (2004). COREPA-M: A multi 

dimensional formulation of COREPA. QSAR and Combinatorial Science. 23:5-18. 

Mekenyan O, Serafimova R, Todorov M, Stoeva S, Aptula A, Jacob E, Finking R. 

(2007). Identification of the structural requirements for chromosomal aberration, by 

incorporating molecular flexibility and metabolic activation of chemicals. Chemical 

Research in Toxicology. 20:1927–1941. 

Newsted JL, Giesy JP. (1987). Predictive models for photoinduced acute toxicity of 

polycyclic aromatic hydrocarbons to Daphnia magna Strauss (Cladocera, Crustacea). 

Environmental Toxicology and Chemistry.6:445-461. 

Nikolaou K, Masclet P, Mouvier G. (1984). Sources and chemical reactivity of 

polynuclear aromatic hydrocarbons in the atmosphere - a critical review. Science of the 

Total Environment. 32:103-132. 

Papadoyannis IN, Xotou A, Samanidou VF. (2002). Development of a solid phase 

extraction protocol for the simultaneous determination of anthracene and its oxidation 

125

products in surface waters by reversed-phase HPLC. Journal of Liquid Chromatography 

and Related Technologies. 25:2635-2653. 

Patlewicz G, Dimitrov SD, Low LK, Kern PS, Dimitrova GD, Comber MHI, Aptula AO, 

Phillips RD, Niemela J, Madsen C, Wedebye EB, Roberts DW, Bailey PT, Mekenyan 

OG. (2007). TIMES-SS—A promising tool for the assessment of skin sensitization 

hazard. A characterization with respect to the OECD validation principles for (Q)SARs 

and an external evaluation for predictivity. Regulatory Toxicology and Pharmacology 

48:225–239. 

Prince RC, Walters CC. 2006. Biodegradation of Oil Hydrocarbons and Its Implications 

for Source Identification. In: Wang Z, Stout SA, (Eds.) Oil Spill Environmental Forensics 

Academic Press. p 349-379. 

Roberts DW, Patlewicz G, Dimitrov SD, Low LK, Kern PS, Dimitrova GD, Comber 

MHI, Aptula AO, Phillips RD, Niemela J, Madsen C, Wedebye EB, Bailey PT, 

Mekenyan OG. (2007). TIMES-SS - A mechanistic evaluation of an external validation 

study using reaction chemistry principles. Chemical Research in Toxicology. 20:1321- 

1330. 

Russom CL, Bradbury SP, Broderius SJ, Drummond RA, Hammermeister DE. (1997). 

Predicting modes of toxic action from chemical structure: acute toxicity in Fathead 

minnow (Pimephales Promelas). Part I - development of a rule-based expert system. 


Serafimova R, Todorov M, Pavlov T, Kotov S, Jacob E, Aptula A, Mekenyan O. (2006). 

Identification of the structural requirements for mutagencitiy, by incorporating molecular 

flexibility and metabolic activation of chemicals II. General Ames mutagenicity model. 

Chemical Research in Toxicology. 20:662 -676. 

Serafimova R, Todorov M, Nedelcheva D, Pavlov T, Akahori Y, Nakai M, Mekenyan O. 

(2007). QSAR and mechanistic interpretation of estrogen receptor binding. SAR and 

QSAR in Environmental Research. 18:1-33. 

Shimada H, Oginuma M, Hara A, Imamura Y. (2004). 9,10-Phenanthrenequinone, a 

component of diesel exhaust particles, inhibits the reduction of 4-benzoylpyridine and alltrans-retinal 

and mediates superoxide formation through its redox cycling in pig heart. 

Chemical Research in Toxicology. 17:1145-1150. 

US Environmental Protection Agency. (2009). EPISuite v4.0. 

http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm 

van der Meer JR, de Vos WM, Harayama S, Zehnder AJB. (1992). Molecular 

mechanisms of genetic adaptation to xenobiotic compounds. Microbiological Reviews. 

56:677-694. 

126

Verhaar HJM, van Leeuwen CJ, Hermens JLM. (1992). Classifying environmental 

pollutants. 1. Structure-activity relationships for prediction of aquatic toxicity. 

Chemosphere. 25:471-491. 

Volkering F, Breure AM. (2003) Biodegradation and general aspects of bioavailability. In 

PAHs: An ecotoxicological perspective, Douben PET (Ed.). Wiley, West Sussex, UK, pp. 

81-96 

Wiegman S, Termeer JAG, Verheul T, Kraak MHS, de Voogt P, Admiraal W. (2002). 

UV absorbance -dependent toxicity of acridine to the marine diatom Phaecodactylum 

tricornutum. Environmental Science and Technology. 36:908-913. 

Xie F, Koziar S, Lampi MA, Dixon DG, Norwood W, Borgmann U, Greenberg BM. 

(2006). Assessment of the toxicity of mixtures of copper, 9,10-phenanthrenequinone and 

phenanthrene to D. magna. Environ Toxicol Chem 25:613-622. 

Zhu H, Li Y, Trush MA. (1995). Characterization of benzo[a]pyrene quinone-induced 

toxicity to primary cultured bone marrow stromal cells from DBA/2 mice: Potential role 

of mitochondrial dysfunction. Toxicology and Applied Pharmacology. 130:108-120. 

127


APPENDIX 5: Aquatic Toxicity Predictions Obtained 

Using the PETROTOX Model for Petroleum Substance 

Categories 


CONCAWE 

AQUATIC TOXICITY PREDICTIONS 

USING THE PETROTOX MODEL FOR 

PETROLEUM SUBSTANCE CATEGORIES 

Report prepared for CONCAWE 

by 

Aaron Redman a , Badri Yadav b 

a Hydroqual, Providence, Utah 

b Hydroqual, Mahwah, New Jersey 

June 3, 2010 

CONC.008.006

CONTENTS 

Section 

Page 

1 INTRODUCTION ............................................................................................................... 1-1 

2 SUMMARY OF COMPOSITION AND TOXICITY PREDICTIONS FOR 

NAPHTHA .......................................................................................................................... 2-1 


KEROSINES ........................................................................................................................ 3-1 

4 SUMMARY OF COMPOSITION AND TOXICITY PREDICTIONS FOR MK-1 .......... 4-1 


STRAIGHT-RUN GAS OILS ............................................................................................. 5-1 


CRACKED GAS OILS ........................................................................................................ 6-1 


VACUUM GAS OILS / HYDROCRACKED / OTHER DISTILLATE FUELS ............... 7-1 

8 SUMMARY OF COMPOSITION AND TOXICITY PREDICTIONS FOR OTHER 

GAS OILS ............................................................................................................................ 8-1 

9 SUMMARY OF COMPOSITION AND TOXICITY PREDICTIONS FOR HEAVY 

FUEL OIL COMPONENTS ................................................................................................ 9-1 


BITUMEN ......................................................................................................................... 10-1 


UNTREATED DISTILLATE AROMATIC EXTRACTS ................................................ 11-1 


TREATED DISTILLATE AROMATIC EXTRACTS ..................................................... 12-1 

13 SUMMARY OF COMPOSITION AND TOXICITY PREDICTIONS FOR FOOTS 

OILS ................................................................................................................................... 13-1 

14 SUMMARY OF COMPOSITION AND TOXICITY PREDICTIONS FOR OTHER 

LUBRICANT BASE OILS ................................................................................................ 14-1 

i

CONTENTS (Continued) 

Section 

Page 


PARAFFIN AND HYDROCARBON WAXES ............................................................... 15-1 


PETROLATUMS .............................................................................................................. 16-1 


RESIDUAL AROMATIC EXTRACTS ............................................................................ 17-1 

18 SUMMARY OF COMPOSITION AND TOXICITY PREDICTIONS FOR SLACK 

WAXES ............................................................................................................................. 18-1 


UNREFINED/ACID-TREATED OILS ............................................................................. 19-1 


HIGHLY REFINED MINERAL OILS ............................................................................. 20-1 

ii

1-1 

SECTION 1 

1 INTRODUCTION 

Refined petroleum substances are complex substances containing numerous 

hydrocarbon constituents. This poses a challenge for environmental hazard assessments 

including toxicity testing. As a result high quality toxicity data may not be available for 

hazard ranking of petroleum substances. In these instances the PETROTOX model can be 

used to provide reasonably conservative predictions of acute and chronic toxicity (Redman 

et al 2010; HydroQual 2009). However, precedence will be given to experimental data 

(when available) over predicted values. 

The PETROTOX model is based on previous work modeling the solubility of 

petroleum substances (Di Toro et al 2007; McGrath et al 2005) and the Target Lipid Model 

to predict toxicity of narcotic chemicals (Di Toro et al 2000; McGrath and Di Toro 2009). 

This report documents the results of PETROTOX predictions for the wide range of 

petroleum substances that are currently under review as part of the chemicals regulation 

program REACH in Europe. 

Substance categories 

This report addresses 19 main substance categories that represent major categories of 

refined petroleum substances being managed by CONCAWE in support of REACH 

requirements. These categories span a wide range of distillation properties in refined 

substances from petroleum gases to bitumen. An industry-wide effort was conducted to 

characterize these substances using comprehensive 2D gas chromatography, which were 

used as the input to the PETROTOX predictions. The average compositions of all samples 

within a category are reported in the sections below. 

Model set-up 

The PETROTOX model was designed to predict the results of standardized 

laboratory toxicity testing methods. The default system parameters are, therefore, consistent 

with the design of the testing systems as well as the validation of the PETROTOX model 

(Redman et al 2010). For example, model simulations were performed assuming a 10% 

headspace to account for volatilization of test substances during exposures. Also, 

predictions for microbial organisms (e.g., algae and WWTP organisms such as protozoa) 

were performed assuming a particulate organic carbon content of 2 mg/L. This accounts 

for elevated particulate concentrations present during typical test conditions, which can 

lower the bioavailability of the dissolved hydrocarbons and is consistent with the initial 

validation of the model (Redman et al 2010).

1-2 

The model predictions include median lethal loadings (LL50) and no observed effect 

loadings (NOEL) through the use of an acute to chronic ratio (McGrath et al 2004; 

McGrath and Di Toro 2009). The ACR was applied to the critical body burdens at the time 

of the calculations so that NOEL predictions are still affected by the inherent solubilities of 

these complex petroleum substances and are not simply scaled from the acute toxicity 

predictions. Toxicity endpoints are reported for several standard test organisms (fish, algae, 

daphnid, protozoa), which are relatively sensitive and are considered representative of other 

sensitive aquatic organisms. These predictions, therefore, provide a reasonable initial basis 

for evaluating aquatic hazards of the petroleum substances in this study (Redman et al 2007; 

Di Toro et al 2000; McGrath et al 2004). Based on the initial validation (HydroQual 2009) 

the predictions and are considered conservative. 

The term “loading” refers to the insoluble nature of the petroleum substances as well 

as the test methods used to generate exposure media (e.g., water accommodated fractions). 

Due to solubility limitations some petroleum substances are classified as Non-Toxic. This is 

presented in the report as the LL50 or NOEL >1000 mg/L, which is the maximum loading 

evaluated in PETROTOX (HydroQual 2009). In these cases the maximum Toxic Unit (TU) 

reached under the simulation conditions is reported for relative comparisons.

1-3 

References 

Redman A, Parkerton T, McGrath J, Di Toro D. 2010. PETROTOX: A Toxicity Model for 

Petroleum Products. Environ. Toxicol. Chem. in prep 

HydroQual. 2009. PETROTOX User's Guide Version 3.01. CONC.006 

McGrath JA, Parkerton TF, Hellweger FL and Di Toro DM. 2005. Validation of the 

narcosis target lipid model for petroleum products: Gasoline as a case study. Environ 

Toxicol Chem 24:2382-2394. 

Di Toro DM, McGrath JA and Stubblefield WA. 2007. Predicting the toxicity of neat and 

weathered crude oil: Toxic potential and the toxicity of saturated mixtures. Environ 

Toxicol Chem 26:24-36. 

McGrath J and Di Toro D. 2009. Validation of the target lipid model for toxicity assessment 

of residual petroleum constituents: monocyclic and polycyclic aromatic 

hydrocarbons. Environ. Toxicol. and Chem. 28(6):1130-1148. 

Redman A, McGrath J, Febbo E, Parkerton T, Letinski D, Connelly M, Winkelmann D, Di 

Toro D. 2007. Application of the target lipid model for deriving predicted no-effect 

concentrations for wastewater organisms. Environ. Toxicol. and Chem.26(11):2317- 

2331.

2-1 

SECTION 2 

2 SUMMARY OF COMPOSITION AND TOXICITY 

PREDICTIONS FOR NAPHTHA 

Table of Toxicity Predictions – based on average composition (see below for details) 

LL50 

(mg/L) 

NOEL 

(mg/L) 

Tetrahymena pyriformis (WWTP organism, protozoa) 30.8 6.8 

Selenastrum capricornutum (algae) 5.8 1.3 

Onchorhyncus mykiss (fish) 6.8 1.5 

Daphnia magna (aquatic invertebrate) 11.9 2.7 

Table of composition (Average of 33 samples) 

n- i- 

C# n-P i-P CC5 CC6 i-N Di-N Olefins Olefins PolyN MoAr NMAr DiAr NDiAr PolyAr 

wt % wt % wt % wt % wt % wt % wt % wt % wt % wt % wt % wt % wt % wt % 

4 3.06 1.22 0.00 0.00 0.00 0.00 0.53 0.28 0.00 0.00 0.00 0.00 0.00 0.00 

5 3.15 9.75 0.40 0.00 0.00 0.00 1.48 1.78 0.00 0.00 0.00 0.00 0.00 0.00 

6 2.22 9.51 1.27 1.27 0.00 0.00 0.94 3.56 0.00 1.20 0.00 0.00 0.00 0.00 

7 1.72 4.78 0.69 0.69 0.00 0.69 0.44 1.77 0.00 11.56 0.00 0.00 0.00 0.00 

8 0.89 5.18 0.21 0.21 0.21 0.21 0.09 0.07 0.00 14.32 0.00 0.00 0.00 0.00 

9 0.46 1.15 0.14 0.14 0.14 0.14 0.03 0.03 0.00 4.08 4.08 0.00 0.00 0.00 

10 0.18 0.32 0.03 0.03 0.03 0.03 0.02 0.02 0.00 0.83 0.83 0.83 0.00 0.00 

11 0.24 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.10 0.10 0.00 0.00 

12 0.20 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 

13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00

3-1 

SECTION 3 


PREDICTIONS FOR KEROSINES 


LL50 

(mg/L) 

NOEL 

(mg/L) 

Tetrahymena pyriformis (WWTP organism, protozoa) 6789 1.64 





C# n-P i-P CC5 CC6 i-N Di-N PolyN MoAr NMAr DiAr NDiAr PolyAr 

wt % wt % wt % wt % wt % wt % wt % wt % wt % wt % wt % wt % 

5 0.005 0.000 0.001 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

6 0.034 0.024 0.020 0.026 0.000 0.000 0.000 0.010 0.000 0.000 0.000 0.000 

7 0.157 0.170 0.061 0.202 0.041 0.000 0.000 0.147 0.000 0.000 0.000 0.000 

8 0.671 0.689 0.246 0.331 0.677 0.053 0.000 1.125 0.000 0.000 0.000 0.000 

9 2.095 2.198 0.300 0.475 2.498 0.365 0.000 3.167 0.248 0.000 0.000 0.000 

10 3.939 5.321 0.422 0.497 4.581 1.432 0.000 3.134 0.845 0.188 0.000 0.000 

11 3.978 5.858 0.311 0.360 4.851 2.297 0.000 2.231 1.231 0.556 0.000 0.000 

12 3.405 4.647 0.221 0.267 4.029 2.116 0.000 1.390 1.217 0.552 0.001 0.000 

13 2.358 3.936 0.122 0.141 2.761 1.729 0.000 0.866 0.768 0.225 0.007 0.000 

14 1.278 2.380 0.050 0.066 1.397 0.744 0.007 0.413 0.381 0.073 0.004 0.000 

15 0.487 1.229 0.016 0.017 0.600 0.210 0.007 0.175 0.137 0.020 0.003 0.000 

16 0.117 0.462 0.003 0.003 0.168 0.040 0.007 0.054 0.028 0.007 0.000 0.001 

17 0.029 0.110 0.001 0.001 0.039 0.008 0.007 0.013 0.013 0.000 0.000 0.001 

18 0.008 0.033 0.000 0.000 0.009 0.002 0.007 0.003 0.006 0.000 0.000 0.000 

19 0.003 0.014 0.000 0.000 0.003 0.002 0.007 0.001 0.000 0.000 0.000 0.000 

20 0.001 0.005 0.000 0.000 0.002 0.004 0.007 0.000 0.000 0.000 0.000 0.000 

21 0.001 0.003 0.000 0.000 0.002 0.006 0.007 0.000 0.000 0.000 0.000 0.000 

22 0.001 0.003 0.000 0.000 0.009 0.000 0.007 0.000 0.000 0.000 0.000 0.000 

23 0.000 0.000 0.000 0.000 0.000 0.000 0.007 0.000 0.000 0.000 0.000 0.000 

24 0.000 0.000 0.000 0.000 0.000 0.000 0.007 0.000 0.000 0.000 0.000 0.000 

25 0.000 0.000 0.000 0.000 0.000 0.000 0.007 0.000 0.000 0.000 0.000 0.000 

26 0.000 0.000 0.000 0.000 0.000 0.000 0.007 0.000 0.000 0.000 0.000 0.000 

27 0.000 0.000 0.000 0.000 0.000 0.000 0.007 0.000 0.000 0.000 0.000 0.000 

28 0.000 0.000 0.000 0.000 0.000 0.000 0.007 0.000 0.000 0.000 0.000 0.000 

29 0.000 0.000 0.000 0.000 0.000 0.000 0.007 0.000 0.000 0.000 0.000 0.000 

30 0.000 0.000 0.000 0.000 0.000 0.000 0.007 0.000 0.000 0.000 0.000 0.000 

Sum 99.845

4-1 

SECTION 4 


PREDICTIONS FOR MK-1 


LL50 

(mg/L) 

NOEL 

(mg/L) 

Tetrahymena pyriformis (WWTP organism, protozoa) >1000(0.16 † ) >1000(0.72) 

Selenastrum capricornutum (algae) >1000(0.84) 0.43 


Daphnia magna (aquatic invertebrate) >1000(0.59) 0.42 

† Maximum TU reached under PETROTOX simulation conditions 

Table of composition (1 sample) 



5 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

6 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

7 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

8 0.020 0.000 0.030 0.080 0.080 0.010 0.000 0.000 0.000 0.000 0.000 0.000 

9 0.230 0.120 0.040 0.180 0.750 0.210 0.000 0.030 0.000 0.000 0.000 0.000 

10 1.320 0.850 0.170 0.420 2.570 1.490 0.000 0.090 0.010 0.000 0.000 0.000 

11 1.970 1.970 0.190 0.390 3.340 3.790 0.000 0.100 0.050 0.000 0.000 0.000 

12 2.080 2.040 0.220 0.460 3.740 5.280 0.000 0.100 0.120 0.010 0.000 0.000 

13 2.260 2.820 0.270 0.480 4.590 5.760 0.000 0.120 0.170 0.010 0.005 0.000 

14 2.160 3.640 0.130 0.480 4.390 5.680 0.000 0.100 0.120 0.040 0.005 0.005 

15 1.860 4.160 0.140 0.290 3.660 2.680 0.000 0.080 0.080 0.020 0.000 0.005 

16 1.270 2.040 0.060 0.130 2.460 1.180 0.000 0.050 0.040 0.010 0.000 0.000 

17 0.650 1.400 0.020 0.040 1.340 0.440 0.000 0.020 0.020 0.010 0.000 0.000 

18 0.200 1.050 0.010 0.010 0.500 0.140 0.000 0.010 0.010 0.005 0.000 0.000 

19 0.060 0.840 0.005 0.000 0.160 0.040 0.000 0.005 0.000 0.005 0.000 0.000 

20 0.020 0.220 0.005 0.000 0.040 0.005 0.000 0.005 0.000 0.000 0.000 0.000 

21 0.010 0.050 0.000 0.000 0.010 0.005 0.000 0.005 0.000 0.000 0.000 0.000 

22 0.000 0.020 0.000 0.000 0.005 0.000 0.000 0.005 0.000 0.000 0.000 0.000 

23 0.000 0.010 0.000 0.000 0.005 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

24 0.000 0.010 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

25 0.000 0.005 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

26 0.000 0.005 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

27 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

28 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

29 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

30 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

Sum 95.430

5-1 

SECTION 5 


PREDICTIONS FOR STRAIGHT-RUN GAS OILS 


LL50 

(mg/L) 

NOEL 

(mg/L) 

Tetrahymena pyriformis (WWTP organism, protozoa) >1000(0.57 † ) 3.10 




† 

Maximum TU reached under PETROTOX simulation conditions 



Wt % wt % wt % wt % wt % wt % wt % wt % wt % wt % wt % wt % 

5 0.005 0.000 0.008 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

6 0.028 0.000 0.012 0.018 0.000 0.000 0.000 0.006 0.000 0.000 0.000 0.000 

7 0.041 0.029 0.010 0.077 0.019 0.000 0.000 0.050 0.000 0.000 0.000 0.000 

8 0.103 0.069 0.029 0.073 0.147 0.012 0.000 0.168 0.000 0.000 0.000 0.000 

9 0.212 0.169 0.020 0.070 0.235 0.070 0.000 0.312 0.007 0.000 0.000 0.000 

10 0.422 0.345 0.062 0.087 0.438 0.275 0.000 0.474 0.067 0.093 0.000 0.000 

11 0.724 0.598 0.053 0.088 0.679 0.500 0.000 0.470 0.190 0.397 0.000 0.000 

12 0.802 0.672 0.057 0.089 0.809 0.661 0.000 0.413 0.383 0.809 0.003 0.000 

13 0.932 0.852 0.065 0.099 0.978 0.955 0.000 0.456 0.531 0.957 0.076 0.000 

14 1.105 1.088 0.083 0.129 1.110 1.140 0.000 0.441 0.747 0.954 0.295 0.102 

15 1.386 1.281 0.086 0.163 1.342 1.071 0.000 0.497 0.616 0.789 0.606 0.315 

16 1.492 1.563 0.077 0.136 1.503 0.998 0.000 0.536 0.674 0.678 0.688 0.504 

17 1.517 1.337 0.080 0.122 1.598 0.996 0.000 0.543 0.646 0.631 0.601 0.539 

18 1.402 1.565 0.080 0.104 1.647 1.025 0.000 0.549 0.571 0.556 0.535 0.495 

19 1.317 2.122 0.080 0.085 1.696 1.062 0.000 0.543 0.475 0.461 0.335 0.366 

20 1.253 1.938 0.070 0.075 1.458 0.839 0.000 0.491 0.397 0.392 0.223 0.261 

21 1.075 1.276 0.060 0.075 1.253 0.677 0.000 0.448 0.406 0.312 0.130 0.144 

22 0.887 0.958 0.048 0.051 1.130 0.474 0.000 0.354 0.329 0.198 0.087 0.104 

23 0.641 0.851 0.035 0.038 0.849 0.338 0.000 0.275 0.299 0.117 0.049 0.047 

24 0.446 0.758 0.031 0.023 0.610 0.240 0.000 0.187 0.216 0.106 0.032 0.037 

25 0.266 0.550 0.017 0.017 0.411 0.157 0.000 0.133 0.138 0.059 0.032 0.024 

26 0.176 0.380 0.011 0.009 0.288 0.110 0.000 0.070 0.099 0.030 0.018 0.017 

27 0.110 0.236 0.007 0.008 0.195 0.060 0.000 0.041 0.052 0.037 0.009 0.016 

28 0.074 0.185 0.007 0.009 0.138 0.030 0.000 0.031 0.027 0.018 0.005 0.005 

29 0.048 0.127 0.004 0.005 0.095 0.017 0.000 0.014 0.014 0.009 0.004 0.000 

30 0.026 0.094 0.002 0.002 0.057 0.015 1.899 0.008 0.010 0.008 0.003 0.000 

Sum 99.306

6-1 

SECTION 6 


PREDICTIONS FOR CRACKED GAS OILS 


LL50 

(mg/L) 

NOEL 

(mg/L) 

Tetrahymena pyriformis (WWTP organism, protozoa) 1.95 0.24 







5 0.000 0.000 0.003 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

6 0.010 0.000 0.010 0.010 0.000 0.000 0.000 0.005 0.000 0.000 0.000 0.000 

7 0.020 0.025 0.008 0.023 0.013 0.000 0.000 0.100 0.000 0.000 0.000 0.000 

8 0.028 0.050 0.003 0.018 0.115 0.005 0.000 0.495 0.000 0.000 0.000 0.000 

9 0.048 0.110 0.008 0.013 0.153 0.023 0.000 1.230 0.145 0.000 0.000 0.000 

10 0.115 0.220 0.018 0.015 0.243 0.073 0.000 1.828 1.078 0.750 0.000 0.000 

11 0.193 0.400 0.018 0.020 0.318 0.118 0.000 1.798 3.418 6.030 0.000 0.000 

12 0.265 0.608 0.030 0.025 0.473 0.195 0.000 1.673 4.183 10.645 0.168 0.000 

13 0.380 0.993 0.033 0.035 0.768 0.178 0.000 1.590 2.665 8.258 1.500 0.000 

14 0.445 1.395 0.035 0.025 0.958 0.175 0.000 1.075 1.563 4.388 2.680 0.600 

15 0.415 1.298 0.025 0.023 0.823 0.143 0.000 0.715 0.575 1.778 2.618 1.740 

16 0.348 0.995 0.018 0.020 0.620 0.125 0.000 0.473 0.328 0.673 1.573 2.238 

17 0.285 0.718 0.015 0.010 0.430 0.110 0.000 0.285 0.200 0.320 0.703 1.605 

18 0.223 0.528 0.010 0.008 0.325 0.108 0.000 0.230 0.115 0.170 0.305 0.788 

19 0.195 0.415 0.010 0.008 0.240 0.108 0.000 0.148 0.080 0.113 0.110 0.293 

20 0.190 0.323 0.010 0.008 0.213 0.108 0.000 0.123 0.060 0.085 0.048 0.073 

21 0.188 0.245 0.010 0.013 0.188 0.085 0.000 0.090 0.055 0.058 0.018 0.008 

22 0.175 0.198 0.010 0.008 0.188 0.063 0.000 0.078 0.053 0.023 0.008 0.003 

23 0.148 0.170 0.005 0.008 0.165 0.043 0.000 0.068 0.040 0.013 0.003 0.000 

24 0.110 0.145 0.005 0.005 0.133 0.025 0.000 0.040 0.025 0.003 0.003 0.000 

25 0.058 0.118 0.005 0.000 0.093 0.015 0.000 0.028 0.013 0.003 0.000 0.000 

26 0.033 0.083 0.000 0.003 0.058 0.003 0.000 0.010 0.008 0.000 0.000 0.000 

27 0.013 0.043 0.000 0.000 0.023 0.003 0.000 0.005 0.003 0.000 0.000 0.000 

28 0.005 0.025 0.000 0.000 0.013 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

29 0.003 0.018 0.000 0.000 0.003 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

30 0.000 0.005 0.000 0.000 0.000 0.000 0.140 0.000 0.000 0.000 0.000 0.000 

Sum 99.043

7-1 

SECTION 7 


PREDICTIONS FOR VACUUM GAS OILS / HYDROCRACKED / 

OTHER DISTILLATE FUELS 


LL50 

(mg/L) 

NOEL 

(mg/L) 





† 





5 0.000 0.000 0.001 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

6 0.006 0.000 0.003 0.005 0.000 0.000 0.000 0.001 0.000 0.000 0.000 0.000 

7 0.017 0.009 0.029 0.021 0.011 0.000 0.000 0.018 0.000 0.000 0.000 0.000 

8 0.090 0.069 0.063 0.046 0.129 0.012 0.000 0.188 0.000 0.000 0.000 0.000 

9 0.335 0.271 0.085 0.050 0.385 0.116 0.000 0.595 0.034 0.000 0.000 0.000 

10 0.592 0.709 0.113 0.081 0.816 0.497 0.000 0.829 0.396 0.060 0.000 0.000 

11 0.925 1.047 0.104 0.083 1.263 0.928 0.000 0.793 0.944 0.238 0.000 0.000 

12 1.024 1.198 0.114 0.081 1.443 1.028 0.000 0.658 1.240 0.480 0.003 0.000 

13 1.199 1.431 0.108 0.096 1.568 1.219 0.000 0.645 1.154 0.594 0.076 0.000 

14 1.294 1.595 0.119 0.094 1.532 1.631 0.000 0.593 0.942 0.745 0.282 0.032 

15 1.405 1.654 0.118 0.109 1.639 1.236 0.000 0.553 0.724 0.562 0.467 0.119 

16 1.293 1.793 0.097 0.084 1.627 1.016 0.000 0.485 0.549 0.450 0.467 0.249 

17 1.282 1.438 0.090 0.085 1.670 0.927 0.000 0.449 0.518 0.404 0.411 0.282 

18 1.121 1.789 0.074 0.072 1.578 0.860 0.000 0.410 0.416 0.319 0.294 0.258 

19 1.011 2.030 0.064 0.066 1.476 0.837 0.000 0.379 0.369 0.237 0.186 0.200 

20 0.900 1.621 0.050 0.054 1.284 0.611 0.000 0.323 0.301 0.189 0.134 0.147 

21 0.773 1.239 0.051 0.049 1.064 0.499 0.000 0.258 0.262 0.149 0.081 0.088 

22 0.658 0.930 0.037 0.039 0.950 0.331 0.000 0.215 0.208 0.103 0.042 0.051 

23 0.515 0.834 0.029 0.033 0.749 0.206 0.000 0.175 0.153 0.070 0.027 0.022 

24 0.383 0.763 0.021 0.021 0.530 0.125 0.000 0.114 0.120 0.051 0.013 0.014 

25 0.225 0.580 0.013 0.015 0.344 0.074 0.000 0.081 0.072 0.031 0.011 0.009 

26 0.138 0.398 0.008 0.007 0.209 0.037 0.000 0.043 0.039 0.020 0.005 0.007 

27 0.071 0.209 0.003 0.004 0.104 0.018 0.000 0.029 0.017 0.016 0.003 0.002 

28 0.038 0.122 0.002 0.002 0.060 0.007 0.000 0.017 0.010 0.008 0.002 0.003 

29 0.020 0.066 0.001 0.001 0.032 0.002 0.000 0.010 0.005 0.006 0.001 0.002 

30 0.011 0.043 0.001 0.001 0.018 0.002 0.629 0.005 0.002 0.004 0.001 0.001 

Sum 98.160

8-1 

SECTION 8 


PREDICTIONS FOR OTHER GAS OILS 


LL50 

(mg/L) 

NOEL 

(mg/L) 





† 





5 0.000 0.000 0.002 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

6 0.015 0.000 0.007 0.013 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

7 0.028 0.022 0.012 0.058 0.010 0.000 0.000 0.032 0.000 0.000 0.000 0.000 

8 0.118 0.072 0.028 0.085 0.167 0.017 0.000 0.207 0.000 0.000 0.000 0.000 

9 0.453 0.328 0.047 0.083 0.488 0.088 0.000 0.498 0.045 0.000 0.000 0.000 

10 0.555 0.507 0.082 0.072 0.637 0.382 0.000 0.722 0.380 0.013 0.000 0.000 

11 0.710 0.652 0.065 0.077 0.785 0.795 0.000 0.722 1.002 0.093 0.000 0.000 

12 0.837 0.785 0.077 0.083 0.987 1.168 0.000 0.685 1.550 0.365 0.002 0.000 

13 1.025 1.067 0.090 0.122 1.277 1.645 0.000 0.782 1.602 0.657 0.070 0.000 

14 1.370 1.395 0.122 0.145 1.685 1.823 0.000 0.767 1.695 0.867 0.277 0.022 

15 1.610 1.870 0.108 0.145 1.973 1.622 0.000 0.762 1.193 0.825 0.500 0.090 

16 1.488 1.887 0.090 0.107 1.912 1.272 0.000 0.700 0.993 0.578 0.528 0.180 

17 1.340 1.540 0.082 0.098 1.792 1.068 0.000 0.633 0.827 0.445 0.358 0.188 

18 1.173 1.627 0.068 0.075 1.637 0.953 0.000 0.567 0.592 0.333 0.257 0.155 

19 1.002 1.883 0.068 0.057 1.527 0.837 0.000 0.507 0.435 0.250 0.137 0.093 

20 0.868 1.738 0.047 0.047 1.207 0.567 0.000 0.422 0.332 0.182 0.087 0.057 

21 0.687 1.087 0.042 0.047 0.897 0.422 0.000 0.345 0.277 0.128 0.040 0.020 

22 0.537 0.780 0.033 0.032 0.765 0.277 0.000 0.270 0.240 0.058 0.018 0.007 

23 0.385 0.628 0.022 0.025 0.563 0.183 0.000 0.210 0.200 0.027 0.003 0.000 

24 0.272 0.565 0.018 0.012 0.417 0.098 0.000 0.142 0.145 0.013 0.003 0.000 

25 0.153 0.407 0.012 0.010 0.262 0.072 0.000 0.092 0.095 0.010 0.002 0.000 

26 0.098 0.267 0.007 0.003 0.178 0.028 0.000 0.048 0.053 0.012 0.000 0.000 

27 0.050 0.162 0.003 0.003 0.098 0.012 0.000 0.025 0.030 0.010 0.000 0.000 

28 0.033 0.095 0.003 0.002 0.058 0.005 0.000 0.015 0.010 0.000 0.000 0.000 

29 0.017 0.062 0.000 0.002 0.033 0.003 0.000 0.005 0.007 0.000 0.000 0.000 

30 0.007 0.038 0.000 0.000 0.013 0.000 1.393 0.002 0.003 0.000 0.000 0.000 

Sum 99.747

9-1 

SECTION 9 


PREDICTIONS FOR HEAVY FUEL OIL COMPONENTS 


LL50 

(mg/L) 

NOEL 

(mg/L) 




Daphnia magna (aquatic invertebrate) >1000(0.99) 0.27 

† 





5 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

6 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

7 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

8 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

9 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.013 0.007 0.000 0.000 0.000 

10 0.001 0.001 0.000 0.000 0.002 0.001 0.013 0.053 0.037 0.053 0.000 0.000 

11 0.005 0.007 0.000 0.000 0.007 0.004 0.013 0.050 0.072 0.154 0.000 0.000 

12 0.012 0.020 0.000 0.000 0.016 0.009 0.013 0.040 0.092 0.295 0.006 0.000 

13 0.020 0.033 0.000 0.000 0.030 0.019 0.013 0.039 0.076 0.318 0.087 0.000 

14 0.031 0.049 0.000 0.000 0.042 0.030 0.074 0.036 0.062 0.275 0.259 0.082 

15 0.043 0.063 0.000 0.000 0.060 0.032 0.074 0.038 0.056 0.181 0.414 0.429 

16 0.058 0.086 0.000 0.000 0.076 0.032 0.074 0.044 0.047 0.184 0.422 0.904 

17 0.086 0.092 0.000 0.000 0.126 0.042 0.074 0.057 0.058 0.159 0.379 1.284 

18 0.131 0.156 0.000 0.000 0.210 0.075 0.074 0.082 0.069 0.152 0.230 1.433 

19 0.199 0.211 0.000 0.000 0.297 0.105 0.074 0.105 0.085 0.161 0.170 1.406 

20 0.277 0.317 0.000 0.000 0.416 0.095 0.089 0.136 0.116 0.173 0.119 1.343 

21 0.327 0.350 0.000 0.000 0.496 0.077 0.089 0.122 0.098 0.237 0.085 1.148 

22 0.403 0.459 0.000 0.000 0.607 0.076 0.089 0.137 0.091 0.199 0.074 0.819 

23 0.446 0.521 0.000 0.000 0.715 0.067 0.089 0.145 0.082 0.204 0.063 0.400 

24 0.475 0.536 0.000 0.000 0.732 0.068 0.089 0.130 0.084 0.193 0.061 0.185 

25 0.467 0.614 0.000 0.000 0.710 0.066 0.089 0.131 0.076 0.186 0.047 0.147 

26 0.442 0.647 0.000 0.000 0.707 0.070 0.089 0.097 0.077 0.163 0.067 0.101 

27 0.395 0.589 0.000 0.000 0.605 0.068 0.089 0.115 0.067 0.124 0.060 0.042 

28 0.346 0.561 0.000 0.000 0.586 0.027 0.074 0.107 0.063 0.076 0.055 0.000 

29 0.292 0.480 0.000 0.000 0.479 0.018 0.013 0.096 0.047 0.000 0.000 0.000 

30 0.239 0.432 0.000 0.000 0.253 0.000 0.000 0.036 0.000 0.000 0.000 0.000 

Sum 39.447

10-1 

SECTION 10 


PREDICTIONS FOR BITUMEN 


LL50 

(mg/L) 

NOEL 

(mg/L) 


Selenastrum capricornutum (algae) >1000(0.30) 901 

Onchorhyncus mykiss (fish) >1000(0.23) >1000(0.82) 

Daphnia magna (aquatic invertebrate) >1000(0.11) >1000(0.55) 

† 





5 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

6 0.606 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

7 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

8 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

9 0.000 0.001 0.000 0.000 0.002 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

10 0.003 0.021 0.000 0.000 0.020 0.008 0.000 0.000 0.000 0.000 0.000 0.000 

11 0.006 0.017 0.000 0.000 0.015 0.015 0.000 0.000 0.000 0.000 0.000 0.000 

12 0.000 0.014 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

13 0.002 0.003 0.000 0.000 0.001 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

14 0.003 0.005 0.001 0.001 0.008 0.008 0.000 0.000 0.000 0.000 0.000 0.000 

15 0.007 0.014 0.003 0.003 0.019 0.025 0.000 0.000 0.000 0.000 0.000 0.000 

16 0.017 0.039 0.007 0.007 0.055 0.053 0.000 0.000 0.000 0.000 0.000 0.000 

17 0.039 0.105 0.003 0.003 0.066 0.039 0.000 0.000 0.000 0.000 0.000 0.000 

18 0.030 0.065 0.004 0.004 0.029 0.019 0.000 0.000 0.000 0.000 0.000 0.000 

19 0.029 0.045 0.004 0.004 0.027 0.020 0.000 0.000 0.000 0.000 0.000 0.000 

20 0.043 0.033 0.007 0.007 0.031 0.029 0.000 0.000 0.000 0.000 0.000 0.000 

21 0.066 0.046 0.011 0.011 0.067 0.046 0.000 0.000 0.000 0.000 0.000 0.000 

22 0.094 0.145 0.010 0.010 0.068 0.042 0.000 0.000 0.000 0.000 0.000 0.000 

23 0.085 0.127 0.010 0.010 0.060 0.046 0.000 0.000 0.000 0.000 0.000 0.000 

24 0.072 0.145 0.010 0.010 0.062 0.049 0.000 0.000 0.000 0.000 0.000 0.000 

25 0.029 0.105 0.010 0.010 0.064 0.056 0.000 0.000 0.000 0.000 0.000 0.000 

26 0.056 0.105 0.014 0.014 0.063 0.064 0.000 0.000 0.000 0.000 0.000 0.000 

27 0.039 0.146 0.016 0.016 0.083 0.092 0.000 0.000 0.000 0.000 0.000 0.000 

28 0.066 0.172 0.016 0.016 0.088 0.087 0.000 0.000 0.000 0.000 0.000 0.000 

29 0.088 0.193 0.012 0.012 0.089 0.098 0.000 0.000 0.000 0.000 0.000 0.000 

30 0.068 0.231 0.016 0.016 0.090 0.162 0.000 0.000 0.000 0.000 0.000 0.000 

Sum 5.498

11-1 

SECTION 11 


PREDICTIONS FOR UNTREATED DISTILLATE AROMATIC 

EXTRACTS 


LL50 

(mg/L) 

NOEL 

(mg/L) 



Onchorhyncus mykiss (fish) >1000(0.38) 20.01 


† 





5 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

6 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

7 0.000 0.000 0.010 0.010 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

8 0.000 0.001 0.010 0.010 0.001 0.000 0.000 0.001 0.000 0.000 0.000 0.000 

9 0.000 0.000 0.010 0.010 0.000 0.000 0.000 0.002 0.000 0.000 0.000 0.000 

10 0.000 0.001 0.010 0.010 0.001 0.001 0.000 0.000 0.002 0.000 0.000 0.000 

11 0.002 0.001 0.010 0.010 0.001 0.001 0.000 0.001 0.000 0.001 0.000 0.000 

12 0.002 0.002 0.010 0.010 0.001 0.001 0.000 0.000 0.000 0.000 0.000 0.000 

13 0.001 0.002 0.010 0.010 0.000 0.000 0.000 0.000 0.000 0.000 0.251 0.256 

14 0.000 0.000 0.010 0.010 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

15 0.000 0.000 0.010 0.010 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.001 

16 0.000 0.000 0.010 0.010 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.034 

17 0.001 0.000 0.010 0.010 0.000 0.000 0.000 0.001 0.004 0.000 0.000 0.122 

18 0.004 0.000 0.010 0.010 0.006 0.006 0.000 0.021 0.036 0.001 0.000 0.397 

19 0.021 0.009 0.010 0.010 0.029 0.032 0.000 0.100 0.097 0.017 0.003 0.811 

20 0.076 0.039 0.010 0.010 0.066 0.074 0.000 0.220 0.209 0.085 0.019 1.365 

21 0.154 0.094 0.010 0.010 0.158 0.119 0.000 0.362 0.316 0.172 0.102 1.445 

22 0.247 0.178 0.010 0.010 0.237 0.134 0.000 0.422 0.306 0.322 0.287 1.691 

23 0.342 0.309 0.010 0.010 0.271 0.184 0.000 0.426 0.231 0.287 0.549 1.595 

24 0.382 0.322 0.010 0.010 0.298 0.191 0.000 0.341 0.226 0.158 0.608 1.000 

25 0.278 0.458 0.010 0.010 0.356 0.208 0.000 0.354 0.186 0.119 0.434 0.656 

26 0.380 0.690 0.011 0.011 0.380 0.205 0.000 0.363 0.244 0.092 0.240 0.463 

27 0.193 0.625 0.011 0.011 0.280 0.245 0.000 0.331 0.311 0.090 0.182 0.573 

28 0.294 0.641 0.011 0.011 0.335 0.251 0.000 0.374 0.423 0.091 0.164 0.488 

29 0.221 0.496 0.012 0.012 0.285 0.322 0.000 0.378 0.502 0.102 0.161 0.349 

30 0.135 0.525 0.013 0.013 0.335 0.462 0.000 0.404 0.000 0.188 0.184 0.411 

Sum 36.855

12-1 

SECTION 12 


PREDICTIONS FOR TREATED DISTILLATE AROMATIC 

EXTRACTS 

Table of Toxicity Predictions – (only one sample) 

LL50 

(mg/L) 

NOEL 

(mg/L) 



Onchorhyncus mykiss (fish) >1000(0.50) 27 

Daphnia magna (aquatic invertebrate) >1000(0.28) 122 

† 





5 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

6 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

7 0.000 0.000 0.005 0.005 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

8 0.000 0.000 0.005 0.005 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

9 0.000 0.000 0.005 0.005 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

10 0.000 0.000 0.005 0.005 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

11 0.000 0.000 0.005 0.005 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

12 0.000 0.000 0.005 0.005 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

13 0.000 0.000 0.005 0.005 0.000 0.000 0.000 0.000 0.000 0.000 0.480 0.471 

14 0.000 0.000 0.005 0.005 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

15 0.000 0.000 0.005 0.005 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

16 0.000 0.000 0.005 0.005 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.003 

17 0.000 0.000 0.005 0.005 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.011 

18 0.000 0.000 0.005 0.005 0.000 0.001 0.000 0.003 0.006 0.000 0.000 0.014 

19 0.002 0.000 0.005 0.005 0.005 0.005 0.000 0.012 0.005 0.003 0.000 0.041 

20 0.004 0.007 0.005 0.005 0.004 0.005 0.000 0.010 0.010 0.006 0.001 0.079 

21 0.005 0.008 0.005 0.005 0.011 0.009 0.000 0.022 0.019 0.007 0.010 0.081 

22 0.010 0.015 0.005 0.005 0.017 0.012 0.000 0.031 0.040 0.014 0.008 0.131 

23 0.020 0.020 0.005 0.005 0.028 0.029 0.000 0.072 0.046 0.029 0.017 0.185 

24 0.038 0.038 0.005 0.005 0.042 0.042 0.000 0.081 0.075 0.026 0.035 0.203 

25 0.040 0.055 0.005 0.005 0.056 0.061 0.000 0.127 0.093 0.035 0.046 0.309 

26 0.063 0.096 0.005 0.005 0.065 0.078 0.000 0.190 0.175 0.049 0.048 0.378 

27 0.059 0.103 0.005 0.005 0.125 0.130 0.000 0.225 0.301 0.073 0.075 0.713 

28 0.088 0.162 0.005 0.005 0.099 0.216 0.000 0.368 0.523 0.091 0.130 0.807 

29 0.119 0.181 0.005 0.005 0.207 0.397 0.000 0.514 0.858 0.116 0.182 0.513 

30 0.097 0.356 0.005 0.005 0.384 0.831 0.000 0.748 0.000 0.277 0.225 0.603 

Sum 15.750

13-1 

SECTION 13 


PREDICTIONS FOR FOOTS OILS 


LL50 

(mg/L) 

NOEL 

(mg/L) 


Selenastrum capricornutum (algae) >1000(0.065) >1000(0.29) 



† 





5 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

6 0.149 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

7 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

8 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

9 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

10 0.000 0.000 0.000 0.000 0.001 0.002 0.000 0.000 0.000 0.000 0.000 0.000 

11 0.000 0.002 0.000 0.000 0.001 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

12 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

13 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

14 0.000 0.000 0.000 0.000 0.001 0.002 0.000 0.000 0.000 0.000 0.000 0.000 

15 0.001 0.003 0.000 0.000 0.003 0.004 0.000 0.000 0.000 0.000 0.000 0.000 

16 0.002 0.005 0.001 0.001 0.006 0.007 0.000 0.000 0.000 0.000 0.000 0.000 

17 0.002 0.011 0.001 0.001 0.007 0.006 0.000 0.000 0.000 0.000 0.000 0.000 

18 0.007 0.011 0.002 0.002 0.010 0.009 0.000 0.000 0.000 0.000 0.000 0.000 

19 0.064 0.024 0.002 0.002 0.013 0.011 0.000 0.000 0.000 0.000 0.000 0.000 

20 0.568 0.094 0.008 0.008 0.032 0.028 0.000 0.000 0.000 0.000 0.000 0.000 

21 3.090 0.118 0.015 0.015 0.127 0.073 0.000 0.000 0.000 0.000 0.000 0.000 

22 8.541 0.568 0.032 0.032 0.685 0.123 0.000 0.000 0.000 0.000 0.000 0.000 

23 9.047 1.199 0.060 0.060 0.376 0.237 0.000 0.000 0.000 0.000 0.000 0.000 

24 9.511 4.282 0.062 0.062 0.426 0.338 0.000 0.000 0.000 0.000 0.000 0.000 

25 8.800 3.686 0.049 0.049 0.626 0.328 0.000 0.000 0.000 0.000 0.000 0.000 

26 7.263 3.472 0.059 0.059 0.864 0.270 0.000 0.000 0.000 0.000 0.000 0.000 

27 5.050 3.032 0.063 0.063 1.189 0.288 0.000 0.000 0.000 0.000 0.000 0.000 

28 3.682 2.376 0.070 0.070 1.163 0.263 0.000 0.000 0.000 0.000 0.000 0.000 

29 2.620 1.957 0.038 0.038 1.148 0.240 0.000 0.000 0.000 0.000 0.000 0.000 

30 1.297 1.399 0.036 0.036 0.479 0.219 0.000 0.000 0.000 0.000 0.000 0.000 

Sum 92.535

14-1 

SECTION 14 


PREDICTIONS FOR OTHER LUBRICANT BASE OILS 


LL50 

(mg/L) 

NOEL 

(mg/L) 





† 





5 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

6 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.015 0.000 0.000 0.000 0.000 

7 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

8 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

9 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

10 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

11 0.000 0.001 0.000 0.000 0.001 0.001 0.000 0.000 0.001 0.000 0.000 0.000 

12 0.001 0.002 0.000 0.000 0.003 0.001 0.000 0.001 0.001 0.001 0.001 0.000 

13 0.003 0.007 0.001 0.001 0.006 0.004 0.001 0.002 0.006 0.009 0.004 0.000 

14 0.008 0.013 0.002 0.002 0.015 0.014 0.003 0.005 0.022 0.027 0.010 0.002 

15 0.025 0.037 0.007 0.007 0.048 0.037 0.011 0.023 0.037 0.024 0.029 0.005 

16 0.060 0.077 0.012 0.012 0.107 0.058 0.023 0.042 0.047 0.032 0.039 0.016 

17 0.200 0.181 0.025 0.025 0.220 0.102 0.074 0.060 0.057 0.044 0.038 0.031 

18 0.353 0.307 0.054 0.054 0.394 0.193 0.147 0.093 0.077 0.061 0.040 0.039 

19 0.364 0.617 0.083 0.083 0.529 0.317 0.226 0.120 0.116 0.097 0.049 0.050 

20 0.595 0.874 0.142 0.142 0.726 0.458 0.325 0.176 0.163 0.133 0.063 0.096 

21 0.778 1.185 0.132 0.132 1.162 0.576 0.402 0.259 0.206 0.228 0.087 0.067 

22 0.973 1.642 0.186 0.186 1.583 0.627 0.477 0.374 0.354 0.312 0.112 0.076 

23 1.120 1.934 0.229 0.229 1.669 0.883 0.553 0.472 0.476 0.332 0.145 0.057 

24 1.008 1.955 0.216 0.216 1.552 0.880 0.526 0.579 0.524 0.365 0.164 0.061 

25 0.808 1.805 0.149 0.149 1.474 0.870 0.458 0.491 0.537 0.396 0.178 0.069 

26 0.772 1.807 0.163 0.163 1.126 0.739 0.453 0.512 0.637 0.439 0.192 0.074 

27 0.671 1.488 0.141 0.141 0.768 0.765 0.519 0.388 0.663 0.368 0.206 0.015 

28 0.628 1.296 0.131 0.131 1.054 0.647 0.418 0.325 0.558 0.330 0.079 0.000 

29 0.637 1.018 0.089 0.089 0.830 0.667 0.368 0.286 0.465 0.000 0.000 0.000 

30 0.435 0.945 0.077 0.077 0.658 0.761 0.000 0.232 0.344 0.000 0.000 0.000 

Sum 72.858

15-1 

SECTION 15 


PREDICTIONS FOR PARAFFIN AND HYDROCARBON WAXES 


LL50 

(mg/L) 

NOEL 

(mg/L) 





† 





5 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

6 0.291 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

7 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

8 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

9 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

10 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

11 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

12 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

13 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

14 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

15 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

16 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

17 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

18 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

19 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

20 0.002 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

21 0.005 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

22 0.018 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

23 0.039 0.000 0.000 0.000 0.001 0.001 0.000 0.000 0.000 0.000 0.000 0.000 

24 0.113 0.006 0.002 0.002 0.004 0.006 0.000 0.000 0.000 0.000 0.000 0.000 

25 0.216 0.017 0.000 0.000 0.002 0.001 0.000 0.000 0.000 0.000 0.000 0.000 

26 0.355 0.016 0.000 0.000 0.001 0.001 0.000 0.000 0.000 0.000 0.000 0.000 

27 0.577 0.032 0.000 0.000 0.002 0.001 0.000 0.000 0.000 0.000 0.000 0.000 

28 0.991 0.062 0.001 0.001 0.011 0.008 0.000 0.000 0.000 0.000 0.000 0.000 

29 1.869 0.142 0.004 0.004 0.069 0.015 0.000 0.000 0.000 0.000 0.000 0.000 

30 2.918 0.362 0.087 0.087 0.137 0.019 0.000 0.000 0.000 0.000 0.000 0.000 

Sum 8.500

16-1 

SECTION 16 


PREDICTIONS FOR PETROLATUMS 


LL50 

(mg/L) 

NOEL 

(mg/L) 





† 





5 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

6 0.170 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

7 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

8 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

9 0.000 0.002 0.000 0.000 0.000 0.001 0.000 0.000 0.000 0.000 0.000 0.000 

10 0.001 0.004 0.000 0.000 0.005 0.009 0.000 0.000 0.000 0.000 0.000 0.000 

11 0.001 0.006 0.000 0.000 0.005 0.007 0.000 0.000 0.000 0.000 0.000 0.000 

12 0.001 0.005 0.001 0.001 0.006 0.008 0.000 0.000 0.000 0.000 0.000 0.000 

13 0.002 0.007 0.001 0.001 0.010 0.018 0.000 0.000 0.000 0.000 0.000 0.000 

14 0.001 0.010 0.001 0.001 0.011 0.015 0.000 0.000 0.000 0.000 0.000 0.000 

15 0.005 0.013 0.002 0.002 0.021 0.024 0.000 0.000 0.000 0.000 0.000 0.000 

16 0.008 0.025 0.002 0.002 0.027 0.022 0.000 0.000 0.000 0.000 0.000 0.000 

17 0.019 0.031 0.004 0.004 0.037 0.025 0.000 0.000 0.000 0.000 0.000 0.000 

18 0.035 0.044 0.009 0.009 0.059 0.040 0.000 0.000 0.000 0.000 0.000 0.000 

19 0.070 0.081 0.036 0.036 0.146 0.112 0.000 0.000 0.000 0.000 0.000 0.000 

20 0.275 0.253 0.128 0.128 0.425 0.302 0.000 0.000 0.000 0.000 0.000 0.000 

21 0.357 0.594 0.101 0.101 0.789 0.370 0.000 0.000 0.000 0.000 0.000 0.000 

22 0.499 0.914 0.148 0.148 0.933 0.359 0.000 0.000 0.000 0.000 0.000 0.000 

23 0.382 0.969 0.173 0.173 0.995 0.540 0.000 0.000 0.000 0.000 0.000 0.000 

24 0.650 1.322 0.212 0.212 1.194 0.716 0.000 0.000 0.000 0.000 0.000 0.000 

25 0.753 1.344 0.200 0.200 1.290 0.842 0.000 0.000 0.000 0.000 0.000 0.000 

26 1.057 1.461 0.216 0.216 1.071 0.792 0.000 0.000 0.000 0.000 0.000 0.000 

27 0.944 1.540 0.180 0.180 0.971 0.801 0.000 0.000 0.000 0.000 0.000 0.000 

28 0.977 1.175 0.158 0.158 0.769 0.570 0.000 0.000 0.000 0.000 0.000 0.000 

29 0.809 0.983 0.123 0.123 0.865 0.508 0.000 0.000 0.000 0.000 0.000 0.000 

30 0.642 0.927 0.115 0.115 0.670 0.636 0.000 0.000 0.000 0.000 0.000 0.000 

Sum 40.000

17-1 

SECTION 17 


PREDICTIONS FOR RESIDUAL AROMATIC EXTRACTS 

Table of Toxicity Predictions – (only one sample) 

LL50 

(mg/L) 

NOEL 

(mg/L) 





† 





5 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

6 0.000 0.009 0.001 0.001 0.152 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

7 0.000 0.000 0.004 0.004 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

8 0.000 0.000 0.004 0.004 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

9 0.000 0.000 0.004 0.004 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

10 0.000 0.000 0.004 0.004 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

11 0.000 0.000 0.004 0.004 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

12 0.000 0.000 0.004 0.004 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

13 0.000 0.000 0.004 0.004 0.000 0.000 0.000 0.000 0.000 0.000 0.301 0.285 

14 0.000 0.000 0.004 0.004 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

15 0.000 0.000 0.004 0.004 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

16 0.000 0.000 0.004 0.004 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

17 0.000 0.000 0.004 0.004 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

18 0.000 0.000 0.004 0.004 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.040 

19 0.000 0.000 0.004 0.004 0.000 0.000 0.000 0.000 0.005 0.000 0.000 0.061 

20 0.002 0.000 0.004 0.004 0.005 0.009 0.000 0.029 0.030 0.002 0.000 0.066 

21 0.010 0.007 0.004 0.004 0.021 0.020 0.000 0.043 0.037 0.023 0.000 0.102 

22 0.018 0.019 0.004 0.004 0.030 0.020 0.000 0.058 0.049 0.031 0.034 0.101 

23 0.035 0.032 0.004 0.004 0.040 0.032 0.000 0.083 0.073 0.037 0.046 0.151 

24 0.053 0.040 0.004 0.004 0.063 0.060 0.000 0.125 0.117 0.043 0.061 0.156 

25 0.073 0.062 0.004 0.004 0.090 0.082 0.000 0.169 0.142 0.055 0.090 0.129 

26 0.097 0.099 0.004 0.004 0.101 0.095 0.000 0.235 0.233 0.067 0.102 0.169 

27 0.117 0.106 0.004 0.004 0.117 0.133 0.000 0.223 0.310 0.084 0.135 0.400 

28 0.138 0.149 0.004 0.004 0.138 0.119 0.000 0.245 0.413 0.073 0.191 0.403 

29 0.179 0.109 0.004 0.004 0.146 0.181 0.000 0.272 0.556 0.079 0.156 0.244 

30 0.201 0.140 0.004 0.004 0.294 0.441 0.000 0.407 0.000 0.167 0.152 0.372 

Sum 12.750

18-1 

SECTION 18 


PREDICTIONS FOR SLACK WAXES 


LL50 

(mg/L) 

NOEL 

(mg/L) 





† 





5 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

6 0.082 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

7 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

8 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

9 0.000 0.001 0.000 0.000 0.002 0.002 0.000 0.000 0.000 0.000 0.000 0.000 

10 0.000 0.004 0.000 0.000 0.002 0.002 0.000 0.000 0.000 0.000 0.000 0.000 

11 0.000 0.001 0.000 0.000 0.001 0.001 0.000 0.000 0.000 0.000 0.000 0.000 

12 0.000 0.002 0.001 0.001 0.002 0.004 0.000 0.000 0.000 0.000 0.000 0.000 

13 0.001 0.005 0.000 0.000 0.004 0.008 0.000 0.000 0.000 0.000 0.000 0.000 

14 0.001 0.007 0.000 0.000 0.004 0.007 0.000 0.000 0.000 0.000 0.000 0.000 

15 0.001 0.006 0.001 0.001 0.005 0.006 0.000 0.000 0.000 0.000 0.000 0.000 

16 0.004 0.009 0.001 0.001 0.007 0.006 0.000 0.000 0.000 0.000 0.000 0.000 

17 0.020 0.016 0.001 0.001 0.011 0.006 0.000 0.000 0.000 0.000 0.000 0.000 

18 0.124 0.035 0.003 0.003 0.033 0.012 0.000 0.000 0.000 0.000 0.000 0.000 

19 0.422 0.137 0.004 0.004 0.259 0.017 0.000 0.000 0.000 0.000 0.000 0.000 

20 0.625 0.220 0.007 0.007 0.524 0.022 0.000 0.000 0.000 0.000 0.000 0.000 

21 1.261 0.226 0.004 0.004 0.053 0.020 0.000 0.000 0.000 0.000 0.000 0.000 

22 1.539 0.347 0.007 0.007 0.281 0.020 0.000 0.000 0.000 0.000 0.000 0.000 

23 1.221 0.606 0.014 0.014 0.102 0.032 0.000 0.000 0.000 0.000 0.000 0.000 

24 1.562 1.108 0.014 0.014 0.133 0.045 0.000 0.000 0.000 0.000 0.000 0.000 

25 1.376 1.088 0.010 0.010 0.160 0.049 0.000 0.000 0.000 0.000 0.000 0.000 

26 1.413 1.194 0.014 0.014 0.172 0.111 0.000 0.000 0.000 0.000 0.000 0.000 

27 1.198 1.358 0.016 0.016 0.271 0.076 0.000 0.000 0.000 0.000 0.000 0.000 

28 1.141 1.369 0.021 0.021 0.370 0.078 0.000 0.000 0.000 0.000 0.000 0.000 

29 1.117 1.572 0.023 0.023 0.631 0.103 0.000 0.000 0.000 0.000 0.000 0.000 

30 1.010 1.699 0.056 0.056 0.543 0.151 0.000 0.000 0.000 0.000 0.000 0.000 

Sum 29.872

19-1 

SECTION 19 


PREDICTIONS FOR UNREFINED/ACID-TREATED OILS 


LL50 

(mg/L) 

NOEL 

(mg/L) 





† 





5 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

6 0.000 0.003 0.000 0.000 0.004 0.000 0.000 0.001 0.000 0.000 0.000 0.000 

7 0.000 0.001 0.018 0.018 0.001 0.000 0.000 0.001 0.000 0.000 0.000 0.000 

8 0.000 0.001 0.018 0.018 0.001 0.000 0.000 0.004 0.000 0.000 0.000 0.000 

9 0.000 0.002 0.018 0.018 0.001 0.001 0.000 0.005 0.001 0.000 0.000 0.000 

10 0.001 0.003 0.018 0.018 0.004 0.003 0.000 0.001 0.001 0.001 0.000 0.000 

11 0.001 0.002 0.018 0.018 0.003 0.003 0.000 0.002 0.002 0.000 0.000 0.000 

12 0.003 0.003 0.018 0.018 0.006 0.006 0.000 0.005 0.005 0.003 0.000 0.000 

13 0.007 0.009 0.018 0.018 0.011 0.012 0.000 0.012 0.010 0.007 0.000 0.010 

14 0.018 0.018 0.018 0.018 0.023 0.023 0.000 0.028 0.010 0.012 0.004 0.035 

15 0.035 0.035 0.018 0.018 0.043 0.035 0.000 0.062 0.024 0.023 0.023 0.113 

16 0.062 0.051 0.018 0.018 0.072 0.042 0.000 0.096 0.041 0.014 0.035 0.182 

17 0.151 0.102 0.018 0.018 0.135 0.068 0.000 0.154 0.076 0.025 0.091 0.333 

18 0.280 0.161 0.018 0.018 0.234 0.128 0.000 0.249 0.137 0.040 0.119 0.500 

19 0.349 0.293 0.018 0.018 0.312 0.213 0.000 0.439 0.187 0.079 0.154 0.641 

20 0.614 0.546 0.018 0.018 0.401 0.294 0.000 0.593 0.294 0.152 0.248 0.966 

21 0.786 0.736 0.018 0.018 0.674 0.363 0.000 0.810 0.435 0.218 0.379 1.101 

22 1.011 1.094 0.018 0.018 0.866 0.362 0.000 0.907 0.474 0.397 0.581 1.376 

23 1.199 1.472 0.018 0.018 0.850 0.483 0.000 0.988 0.435 0.434 0.654 1.430 

24 1.224 1.211 0.018 0.018 0.896 0.491 0.000 0.854 0.503 0.331 0.622 1.259 

25 0.690 1.580 0.018 0.018 0.873 0.488 0.000 0.837 0.373 0.311 0.496 0.972 

26 0.958 1.890 0.018 0.018 0.689 0.391 0.000 0.671 0.373 0.259 0.486 0.559 

27 0.502 1.499 0.018 0.018 0.333 0.346 0.000 0.432 0.325 0.185 0.365 0.342 

28 0.694 1.330 0.018 0.018 0.509 0.236 0.000 0.334 0.418 0.120 0.212 0.166 

29 0.565 0.963 0.018 0.018 0.363 0.309 0.000 0.319 0.493 0.090 0.150 0.167 

30 0.263 1.178 0.018 0.018 0.569 0.496 0.000 0.324 0.000 0.137 0.150 0.119 

Sum 67.741

20-1 

SECTION 20 


PREDICTIONS FOR HIGHLY REFINED MINERAL OILS 


LL50 

(mg/L) 

NOEL 

(mg/L) 





† 





5 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

6 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

7 0.001 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

8 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

9 0.000 0.001 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

10 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 

11 0.000 0.000 0.000 0.000 0.001 0.002 0.000 0.000 0.000 0.000 0.000 0.000 

12 0.000 0.002 0.000 0.000 0.002 0.003 0.000 0.000 0.000 0.000 0.000 0.000 

13 0.000 0.002 0.000 0.000 0.002 0.004 0.003 0.000 0.000 0.000 0.000 0.000 

14 0.002 0.003 0.002 0.002 0.008 0.012 0.011 0.000 0.000 0.000 0.000 0.000 

15 0.012 0.011 0.008 0.008 0.042 0.055 0.058 0.000 0.000 0.000 0.000 0.000 

16 0.052 0.042 0.020 0.020 0.132 0.117 0.123 0.000 0.000 0.000 0.000 0.000 

17 0.156 0.131 0.041 0.041 0.297 0.195 0.246 0.000 0.000 0.000 0.000 0.000 

18 0.269 0.253 0.070 0.070 0.473 0.280 0.332 0.000 0.000 0.000 0.000 0.000 

19 0.245 0.393 0.082 0.082 0.509 0.333 0.343 0.000 0.000 0.000 0.000 0.000 

20 0.278 0.540 0.113 0.113 0.516 0.357 0.356 0.000 0.000 0.000 0.000 0.000 

21 0.263 0.622 0.084 0.084 0.703 0.334 0.330 0.000 0.000 0.000 0.000 0.000 

22 0.289 0.705 0.090 0.090 0.766 0.285 0.313 0.000 0.000 0.000 0.000 0.000 

23 0.351 0.717 0.106 0.106 0.722 0.350 0.360 0.000 0.000 0.000 0.000 0.000 

24 0.351 0.674 0.106 0.106 0.713 0.348 0.411 0.000 0.000 0.000 0.000 0.000 

25 0.286 0.677 0.086 0.086 0.752 0.399 0.522 0.000 0.000 0.000 0.000 0.000 

26 0.276 0.770 0.116 0.116 0.713 0.436 0.634 0.000 0.000 0.000 0.000 0.000 

27 0.282 0.712 0.128 0.128 0.774 0.564 1.051 0.000 0.000 0.000 0.000 0.000 

28 0.282 0.790 0.165 0.165 0.780 0.648 1.029 0.000 0.000 0.000 0.000 0.000 

29 0.463 0.660 0.153 0.153 1.033 0.893 1.053 0.000 0.000 0.000 0.000 0.000 

30 0.388 0.929 0.188 0.188 1.383 1.429 0.000 0.000 0.000 0.000 0.000 0.000 

Sum 40.542

EU-SICHERHEITSDATENBLATT Dieselkraftstoff ... - Schmierstoffe

You also want an ePaper? Increase the reach of your titles

Delete template?

Save as template?