Registration Dossier
Registration Dossier
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EC number: - | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Principles of method if other than guideline:
- Calculation based on KOWWIN programme v1.68, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.00. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
For further details please see under "Any other information on materials and methods incl. tables". - GLP compliance:
- no
- Remarks:
- Calculation
- Type of method:
- other: estimated by calculation
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 16.56
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other: temperature and pH can be assumed to be 20 °C and 7 respectively.
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Principles of method if other than guideline:
- Calculation based on KOWWIN programme v1.68, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.00. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
For further details please see under "Any other information on materials and methods incl. tables". - GLP compliance:
- no
- Remarks:
- Calculation
- Type of method:
- other: estimated by calculation
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 6.74
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other: temperature and pH can be assumed to be 20 °C and 7 respectively.
Referenceopen allclose all
QSAR result; pH and temperatureare not reported. For detailed description of the model and its applicability, see "Any other information on materials and methods incl. tables".
QSAR result; pH and temperatureare 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 Pow = 6.74 - >10
Key value for chemical safety assessment
Additional information
The log Pow of the substance fatty acids, C5 -10 (linear and branched), tetraesters with pentaerythritol (CAS 68424 -31 -7) was determined by QSAR calculation with KOWWIN (v1.68) for the two exemplary components covering both ends of the substance specification.
As the result of the second component (C10 tetra: log Pow = 16.56) exceeds the applicability domain of the model, the value is reported as log Pow >10
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
