LINEAR ALKYLBENZENE SULFONATE (LAS) - UNEP Chemicals

OECD SIDS LINEAR ALKYLBENZENE SULFONATE (LAS)
Test Substance: C13 LAS (CAS #26248-24-8)
Remarks: Structure modeled is the pure C13 sodium salt homologue, 2-phenyl isomer,
not the commercial material.
Reference: USEPA. 2000. EPI Suite v.3.10.
Reliability: 2 Valid with restrictions. Standard EPA estimation software.
2.5 PARTITION COEFFICIENT log10Pow (log10Kow)
(a)
Log Pow: 3.32
Method: Calculation
GLP: Yes [ ] No [X] ? [ ]
Test Substance: C11.6 LAS
Remarks: Calculated for C11.6 LAS using the QSAR method of Leo and Hansch (1979)
as modified by Roberts (1991) for surfactant structures. This takes into
account the various phenyl positions along the linear alkyl chain. See the
Roberts (1991) summary at 2.5(g) for a full description of the method
modifications.
Reference: 1) HERA. 2002. HERA-LAS Human and Environmental Risk Assessment:
Linear Alkylbenzene Sulphonates, LAS. CAS No. 68411-30-3, Draft #6,
May 2002.
2) Leo, A.J. and Hansch, C. 1979. Substituent Constants for Correlation
Analysis in Chemistry and Biology. J. Wiley & Sons, N.Y.
3) Roberts, D.W. 1991. QSAR issues in aquatic toxicity of surfactants. Sci.
Total Environ. 109/110:557-568.
Reliability: 2 Valid with restrictions. These results are considered reliable because a
standard calculation technique was employed.
(b)
Log Pow: 1.94
Method: Estimation: EPI Suite
GLP: Yes [ ] No [X] ? [ ]
Test Substance: C10 Decylbezene sulfonic acid, sodium salt (CAS #1322-98-1)
Remarks: Structure modeled is the pure C10 sodium salt homologue, 2-phenyl isomer,
not the commercial material.
Reference: USEPA. 2000. EPI Suite v3.10.
Reliability: 2 Valid with restrictions. Standard EPA estimation software.
(c)
Log Pow: 2.43
Method: Estimation: EPI Suite
GLP: Yes [ ] No [X] ? [ ]
Test Substance: C11 LAS (CAS #27636-75-5)
Remarks: Structure modeled is the pure C11 sodium salt homologue, 2-phenyl isomer,
not the commercial material.
Reference: USEPA. 2000. EPI Suite v3.10.
Reliability: 2 Valid with restrictions. Standard EPA estimation software.
(d)
Log Pow: 2.92
Method: Estimation: EPI Suite
GLP: Yes [ ] No [X] ? [ ]
Test Substance: C12 LAS (CAS #25155-30-0)
UNEP PUBLICATIONS 123