Registration Dossier
Registration Dossier
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EC number: 225-268-8 | CAS number: 4748-78-1
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 limited documentation / justification
- Justification for type of information:
- Estimation of the partition coefficient using KOWWIN v1.67.
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The partition coefficient was estimated using the KOWWIN v1.67 model
- GLP compliance:
- no
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- - SMILES: O=Cc(ccc(c1)CC)c1
- Molecular Formula: C9H10O1
- Molecular Weight: 134.18 - Key result
- Type:
- log Pow
- Partition coefficient:
- 2.75
- Temp.:
- 25 °C
- Remarks on result:
- other: results was estimated by QSAR prediction (KOWWIN v1.67))
Reference
Description of key information
The log Kow of the test substance was calculated to be 2.75 (KOWWIN v1.67 estimate)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.75
- at the temperature of:
- 25 °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.
