Registration Dossier
Registration Dossier
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EC number: 263-174-9 | CAS number: 61791-42-2
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
- Study period:
- 2012
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- Principles of method if other than guideline:
- Due to the surface activity of the test substance, the shake-flask method according to OECD guideline 107 or the HPLC method according to OECD guideline 117 are not applicable. Therefore the partition coefficient was calculated from the individual solubilities in n-octanol and water according to REGULATION (EC) No 440/2008 - A.8. PARTITION COEFFICIENT - Appendix 1 Calculation/estimation methods
- GLP compliance:
- no
- Type of method:
- other: estimated property using solubilities in the pure solvents
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 0.24
- Temp.:
- 20 °C
- pH:
- 6.4
- Conclusions:
- Partition coefficient n-octanol/water: log Pow = 0.24 at 20°C
- Executive summary:
Due to the surface activity of the test substance the shake-flask method according to OECD guideline 107 or the HPLC method according to OECD guideline 117 are not applicable. Therefore the partition coefficient was calculated from the individual solubilities in n-octanol and water according to REGULATION (EC) No 440/2008 - A.8. PARTITION COEFFICIENT - Appendix 1 Calculation/estimation methods.
The partition coefficient n-octanol/water is log Pow = 0.24 at 20°C.
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- QSAR prediction
- Principles of method if other than guideline:
- Calculation based on KOWWIN v1.68, Estimation Programs Interface Suite™ for Microsoft® Windows v4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
- GLP compliance:
- no
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- -2.41
- Remarks on result:
- other: C8 constituent
- Type:
- log Pow
- Partition coefficient:
- -1.43
- Remarks on result:
- other: C10 constituent
- Type:
- log Pow
- Partition coefficient:
- -0.44
- Remarks on result:
- other: C12 constituent
- Type:
- log Pow
- Partition coefficient:
- 0.54
- Remarks on result:
- other: C14 constituent
- Type:
- log Pow
- Partition coefficient:
- 1.52
- Remarks on result:
- other: C16 constituent
- Type:
- log Pow
- Partition coefficient:
- 2.5
- Remarks on result:
- other: C18 constituent
Referenceopen allclose all
QSAR result; pH and temperature are not reported. For detailed description of the model and its applicability, see "Any other information on materials and methods incl. tables".
Description of key information
log Kow = 0.24 at 20 °C (n-octanol / water solubility quotient)
C12 constituent: logPow = -0.44 (QSAR, KOWWIN v1.68)
C14 constituent: logPow = 0.54 (QSAR, KOWWIN v1.68)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.24
- at the temperature of:
- 20 °C
Additional information
The log Kow of the most relevant constituents of this UVCB substance have been calculated. According to the composition data these are the C12 and the C14 constituents.
Additionally, the log Kow of Sodium methyl cocoyl taurate has been calculated from its individual n-octanol and water solubilites, as it is suggested in the EU method A.8 for surface active materials. Both methods result in similar partition coefficients (i.e. log Kow -0.44 to 0.54 for the C12/C14 components of this substance; log Kow = 0.24 when estimated based on individual solubilities in octanol and water).
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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