Registration Dossier
Registration Dossier
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EC number: 270-291-9 | CAS number: 68424-31-7
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Remarks:
- 2 substances are available for read The substance is a member of a group ofacross
- Adequacy of study:
- weight of evidence
- Justification for type of information:
- QSAR prediction
- Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Key result
- Type:
- log Pow
- Partition coefficient:
- 6.74
- Remarks on result:
- other: QSAR result, therefore no data available on pH and temperature
- Remarks:
- 3-(pentanoyloxy)-2,2-bis[(pentanoyloxy)methyl]propyl valerate (CAS 15834-04-5)
- Key result
- Type:
- log Pow
- Partition coefficient:
- 16.56
- Remarks on result:
- other: QSAR result. therefore no data available on pH and temperature
- Remarks:
- 3-(decanoyloxy)-2,2-bis[(decanoyloxy)methyl]propyl decanoate (CAS 13784-61-7)
- Conclusions:
- The substance, CAS 68424-31-7 ; EC 270-291-9, is analogous to the substances to be read across to, in terms of basic form, and the degree of substitution of functional groups is not considered to effect the proposed read across for the endpoint of partition coefficient.The partition coefficient of the substance is considered to be between log Pow = 6.74 - >10.
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Accepted calculation method, peer-reviewed.
- Justification for type of information:
- QSAR prediction
- 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
- Key result
- Type:
- log Pow
- Partition coefficient:
- 16.56
- Remarks on result:
- other: QSAR result, therefore no data available on pH and temperature
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Accepted calculation method, peer-reviewed.
- Justification for type of information:
- QSAR prediction
- 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
- Key result
- Type:
- log Pow
- Partition coefficient:
- 6.74
- Remarks on result:
- other: QSAR result, therefore no data available on pH and temperature
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
- at the temperature of:
- 20 °C
Additional information
The log Pow of the substance pentaerythritol tetraesters of n-decanoic, n-heptanoic, n-octanoic and n-valeric acids (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.
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