Registration Dossier
Registration Dossier
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EC number: - | CAS number: -
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:
- 1. SOFTWARE EPI-SUITE EPA (USA) v 4.11
2. MODEL (incl. version number) KOWWIN v1.68
3. SMILES C1CCN(C(=O)C1)c2ccc(cc2)N3CCC=C(C3(=O))N4CCOCC4
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL The QMRF is available in "Attached justification".
5. APPLICABILITY DOMAIN The QPRF is available in “Attached justification”.
6. ADEQUACY OF THE RESULT The QPRF is available in “Attached justification”. - Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- Meylan, W.M. and P.H. Howard. 1995. Atom/fragment contribution method for estimating octanol-water partition coefficients. J. Pharm. Sci. 84: 83-92.
- GLP compliance:
- no
- Type of method:
- other: estimated by calculation
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- SMILES: C1CCN(C(=O)C1)c2ccc(cc2)N3CCC=C(C3(=O))N4CCOCC4
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.01
- Remarks on result:
- other: log Kow (KOWWIN v1.68 estimate). No data is provided on temperature and pH.
- Conclusions:
- The Log Pow of the test item is 1.01 (EPISUITE, KOWWIN v1.68).
- Executive summary:
According to EPISUITE model KOWWIN v1.68, the Log Pow of the test item is 1.01.
Reference
KOWWIN v1.68 predicted that the substance has a log Pow = 1.01
Description of key information
Key study. EPI-Suite, KOWWIN v1.68. The calculated value of the partition coefficient 1-octanol/water (log Kow) for the test substance is 1.01.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.01
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.
