N-(1,3-Dimethylbutyl)-N

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OECD SIDS N-(1,3-DIMETHYLBUTYL)-N´-PHENYL-1,4-PHENYLENEDIAMINE 3. ENVIRONMENTAL FATE AND PATHWAYS ID: 793-24-8 DATE: 11.05.2005 3.1.1 PHOTODEGRADATION Type : Air Light source : Light spectrum : Nm Relative intensity : based on intensity of sunlight INDIRECT PHOTOLYSIS Sensitizer : OH Conc. of sensitizer : 500000 molecule/cm³ Rate constant : .0000000002264928 cm³/(molecule*sec) Degradation : 50 % after 1 hour(s) Deg. product : Method : other (calculated): AOP Program (vl. 90) Year : 2003 GLP : Test substance : Test condition : 24-h day Reliability : (2) valid with restrictions Accepted calculation method Flag : Critical study for SIDS endpoint 04.11.2004 (31) Type : Air Light source : Light spectrum : Nm Relative intensity : based on intensity of sunlight INDIRECT PHOTOLYSIS Sensitizer : OH Conc. of sensitizer : 500000 molecule/cm³ Rate constant : .0000000002 cm³/(molecule*sec) Degradation : 50 % after 1 hour(s) Deg. product : Method : other (calculated): EPIWIN AOP Year : 2004 GLP : Test substance : other TS: 4-Hydroxydiphenylamine Method : AOP Program (v1.90) Results: Hydrogen Abstraction = 0.0000 E-12 cm3/molecule-sec Reaction with N, S and -OH = 0.1400 E-12 cm3/molecule-sec Addition to Triple Bonds = 0.0000 E-12 cm3/molecule-sec Addition to Olefinic Bonds = 0.0000 E-12 cm3/molecule-sec Addition to Aromatic Rings = 200.0000 E-12 cm3/molecule-sec Addition to Fused Rings = 0.0000 E-12 cm3/molecule-sec OVERALL OH Rate Constant = 200.1400 E-12 cm3/molecule-sec Result : Half-life of 4-hydroxydiphenylamine = 0.053 Days (12-h day; 1.5E6 OH/cm3) = 0.641 h, equals 0.962 h (24-h day; 0.5E6 OH/cm3) Reliability : (2) valid with restrictions Accepted calculation method Flag : Critical study for SIDS endpoint 04.11.2004 (32) Type : Air Light source : Light spectrum : Nm Relative intensity : based on intensity of sunlight 58 UNEP PUBLICATIONS
OECD SIDS N-(1,3-DIMETHYLBUTYL)-N´-PHENYL-1,4-PHENYLENEDIAMINE 3. ENVIRONMENTAL FATE AND PATHWAYS ID: 793-24-8 DATE: 11.05.2005 INDIRECT PHOTOLYSIS Sensitizer : OH Conc. of sensitizer : 500000 molecule/cm³ Rate constant : .0000000003479 cm³/(molecule*sec) Degradation : 50 % after 1.1 hour(s) Deg. product : Method : other (calculated): calculation according to Atkinson Year : 1996 GLP : Test substance : Reliability : (2) valid with restrictions Accepted calculation method 06.05.2003 (5) 3.1.2 STABILITY IN WATER Type : Abiotic t1/2 pH4 : at °C t1/2 pH7 : 21.5 hour(s) at 50 °C t1/2 pH9 : at °C Deg. product : Yes Method : other: test design comparable to OECD Guideline 111 Year : 2002 GLP : No Test substance : other TS: 4-ADPA, 99.18 % purity Deg. products : 122-37-2 204-538-9 4-anilinophenol Method : Tests were performed in order to examine the influence of light, air, and nutrient medium on the stability of 4-aminodiphenylamine. Study design similar to OECD Guideline 111 but environmental parameters modified to facilitate interpretation of ecotox studies. Radiation, redox (aerobic instead of anaerobic), and nutrient medium conditions simulated those used in ecotoxicological tests. Temperatur dependency was examined in another study [Bayer AG (2002) Abiotic degradation of 4-Aminodiphenylamine. GLP Final Report. Unpublished study (2002-09-19)]. Analytical monitoring of test substance and main metabolite (4- hydroxydiphenylamine) using HPLC with UV detection. Analysis was performed immediately after sampling. Additionally 2 other metabolites appearing in the chromatogram were measured and quantified under the same conditions and calculated as 4-ADPA. Remark : 4-Aminodiphenylamine (4-ADPA) has a structure similar to that of 6PPD, except that the alkyl group is missing Result : In test 2 a t1/2 of 25.7 hours was observed (compared to t1/2 21.5 h in test 1) showing that radiation has no relevant influence on the stability of the test substance under these conditions. In test 3 the medium containing traces of heavy metals such as Mn, Co, Cu, Mo and Zn might be responsible for the reduced half life time of the compound (7.4 hours). In this medium t1/2 at 20 degree C was calculated to about 2.5 days using the factor 2 derived from the first study [Bayer AG (2002). Abiotic degradation of 4-Aminodiphenylamine. GLP Final Report. Unpublished study (2002-09-19).] representing an extrapolation from 50 °C down to 20 °C. In test 4, in darkness and under unaerobic conditions in the beginning of the experiment, 4-ADPA appeared to be stable for (at least) 24 h. In the time course of the experiments, the formation and consecutive degradation of 4-Hydroxydiphenylamine was observed. The maximum concentration of 4-Hydroxydiphenylamine was about 7 % of the initial 4- UNEP PUBLICATIONS 59
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N-(1,3-Dimethylbutyl)-N

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