Registration Dossier
Registration Dossier
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EC number: 262-774-8 | CAS number: 61417-49-0
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- 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
- Justification for type of information:
- As the target substance is hydrolytically unstable with hydrolysis half-life less than 1 hr at 30°C, testing is not feasible. According to hydrolysis test results, the hydrolysis products have been identified to be 2-propanol, isostearic acid and titanium dioxide. The physical, toxicological and ecotoxicological properties of the organic parts have been well-investigated. Read-across approach from hydrolysis products are used for assess the target substance.
QSAR modelling is used to calculate partition coefficients of the hydrolysis products. - Guideline:
- other: QSAR model
- GLP compliance:
- no
- Type of method:
- other: QSAR model
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 7.87
- Temp.:
- 20 °C
- pH:
- ca. 7
- Details on results:
- Partition coeffiecnts (log value) of isostearic acid (isooctadecanoic acid) was 7.87.
- Conclusions:
- Partition coeffiecnts (log value) of isostearic acid (isooctadecanoic acid) was 7.87.
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Data from published handbook.
- GLP compliance:
- not specified
- Type of method:
- other: not specified.
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 0.05
- Temp.:
- 25 °C
- pH:
- ca. 7
- Conclusions:
- Partition coeffiecnts (log value) of 2-propanol was 0.05 at 25°C
Referenceopen allclose all
Description of key information
The partition coefficient of the target substance is 7.87 at 20 °C using QSAR calculation method. As the target substance hydrolyses rapidly to form 2 -propanol and isostearic acid, the physical property of the hydrolysis products are used for read-across. The partition coefficient of 2 -propanol (log value) is 0.05 according to literature. The higher value (7.87) is chosen for CSA.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 7.87
- at the temperature of:
- 20 °C
Additional information
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.
