Registration Dossier
Registration Dossier
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EC number: 214-122-9 | CAS number: 1087-21-4
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 10 February 2017
- Reliability:
- 1 (reliable without restriction)
- 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; EPISUITE
2. MODEL (incl. version number); EPIWEB v4.11
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
O=C(OCC=C)c(cccc1C(=O)OCC=C)c1
Water solubility 33.8 mg/l
Henry LC 3.86E-007
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Episuite is a software program developed by the EPA and is recognised internationally as the accepted QSAR software.
5. APPLICABILITY DOMAIN
No data
6. ADEQUACY OF THE RESULT
The data for some of the physicochemical characteristics is inadequate in its reliability and results from EPISUITE will be more readily accepted. - Qualifier:
- no guideline required
- Principles of method if other than guideline:
- - Principle of test:
- Short description of test conditions: EPISUITE v4.11
- Parameters analysed / observed: Results at 25°C - GLP compliance:
- no
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.36
- Temp.:
- 25 °C
- Remarks on result:
- other: QSAR
- Conclusions:
- The logPow was found to be 3.36 at 25.0°C
Reference
Description of key information
The logPow was found to be 3.36 at 25.0°C by Episuite QSAR.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.36
- 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.
