Registration Dossier
Registration Dossier
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EC number: 200-798-2 | CAS number: 73-32-5
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- secondary literature
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- No information available on test method.
- GLP compliance:
- no
- Type of method:
- other: QSAR
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- CAS number was used as input value for the QSAR.
- Key result
- Type:
- log Pow
- Partition coefficient:
- -1.72
- Remarks on result:
- other: Hansch, C et al. (1995)
- Conclusions:
- Log Kow: -1.72
The partition coefficient was retrieved as an experimentally determined value from the EpiSuite's WSKOW model database. - Executive summary:
Episuite is a well known QSAR software package that is widely used and accepted by both industry and regulatory authorities.
An experimentally determined log Kow value for L-isoleucine is available in the software package. The original publication by Hansch et al (1995) could not be obtained.
Nevertheless, the experimental value is preferred over the modeled value.
Reference
Description of key information
Log Kow: -1.72 (obtained via QSAR database)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1.72
- at the temperature of:
- 25 °C
Additional information
Episuite is a well known QSAR software package that is widely used and accepted by both industry and regulatory authorities.
An experimentally determined log Kow value for L-isoleucine is available in the software package. The original publication by Hansch et al (1995) could not be obtained. Nevertheless, the experimental value is preferred over the modeled value.
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.
