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EC number: 284-965-5 | CAS number: 85005-32-9
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Remarks:
- Internationally accepted method, EPI-Suite, EPA (USA)
- Justification for type of information:
- See attached justifications.
- Principles of method if other than guideline:
- Calculation by EPI-Suite, EPA (USA) / KOWWIN v1.68 estimate
- GLP compliance:
- no
- Type of method:
- other: estimated by calculation
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- [Na+].[Na+].[O-]S(=O)(=O)C(CCCCCCCCC)CCCCCCCC(=O)OCCOC(=O)CCCCCCCC(CCCCCCCCC)S(=O)(=O)[O-]
- Analytical method:
- other: Estimated by calculation
- Key result
- Type:
- log Pow
- Partition coefficient:
- 8.46
- Remarks on result:
- other: EPISuite calculation: no data provided on temperature and pH to be included under "Results and discussions".
- Conclusions:
- The estimated log Pow is 8.46 (EPI-Suite, KOWWIN v1.68 estimate).
- Executive summary:
The estimated log Pow is 8.46 (EPI-Suite, KOWWIN v1.68 estimate).
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- other information
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Remarks:
- Internationally accepted method, EPI-Suite, EPA (USA)
- Justification for type of information:
- See attached justifications.
- Principles of method if other than guideline:
- Calculation by EPI-Suite, EPA (USA) / KOWWIN v1.68 estimate
- GLP compliance:
- no
- Type of method:
- other: estimated by calculation
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- O=S(=O)(O([Na]))C(CCCCCCCCC)CCCCCCCC(=O)OCCO
- Analytical method:
- other: Estimated by calculation
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.82
- Remarks on result:
- other: EPISuite calculation: no data provided on temperature and pH to be included under "Results and discussions".
- Conclusions:
- The estimated log Pow is 1.82 (EPI-Suite, KOWWIN v1.68 estimate).
- Executive summary:
The estimated log Pow is 1.82 (EPI-Suite, KOWWIN v1.68 estimate).
Referenceopen allclose all
Description of key information
Weight of evidence:
Representative components are:
Bisulfited sodium salt of ethylene ester of oleic acid;
Bisulfited sodium salt of ethylene diester of oleic acid;
The estimations of log Pow for these components is 8.46 and 1.82 respectively (EPI-Suite, KOWWIN v1.68 estimate).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.82
- at the temperature of:
- 25 °C
Additional information
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