Registration Dossier
Registration Dossier
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EC number: 816-315-9 | CAS number: 70024-75-8
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:
- other: Certificate of Analysis.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Qualifier:
- no guideline followed
- 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
- Type of method:
- other: QSAR
- Partition coefficient type:
- octanol-water
- Analytical method:
- other: Not applicable - QSAR calculation
- Key result
- Type:
- log Pow
- Partition coefficient:
- 9.62
- Remarks on result:
- other: QSAR result; pH and temperature are not reported.
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Accepted calculation method.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Qualifier:
- no guideline followed
- 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
- Type of method:
- other: QSAR
- Partition coefficient type:
- octanol-water
- Analytical method:
- other: Not applicable - QSAR calculation
- Key result
- Type:
- log Pow
- Partition coefficient:
- 7.66
- Remarks on result:
- other: QSAR result; pH and temperature are not reported.
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".
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 Pow = 7.66-9.62 based on read-across from supporting substance (structural analogue or surrogate).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 8.64
Additional information
The log Pow of the substance decanoic acid, mixed esters with neopentyl glycol and octanoic acid (CAS 70693-32-2) was determined by QSAR calculation with KOWWIN (v1.68) for the single components.
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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