Registration Dossier
Registration Dossier
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EC number: 219-673-9 | CAS number: 2495-35-4
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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
2. MODEL (incl. version number)
ECOSAR Version 1.11
EPISuite Kowwin v1.68 Estimate
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
O=C(C=C)OCc1ccccc1
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
US EPA. 2012. Estimation Programs Interface Suite™ for Microsoft® Windows]. United States Environmental Protection Agency, Washington, DC, USA.
- Defined endpoint: Partition coefficient
5. APPLICABILITY DOMAIN
KOWWIN v 1.68 - Estimates the log octanol-water partition coefficient, log Kow, of chemicals using an atom/fragment contribution method.
6. ADEQUACY OF THE RESULT
Result is adequate for stated purpose
Data source
Reference
- Reference Type:
- other: QSAR
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- - Principle of test:
To estimate the Log Kow value
- Parameters analysed / observed: Log Kow - GLP compliance:
- no
Test material
- Reference substance name:
- Benzyl acrylate
- EC Number:
- 219-673-9
- EC Name:
- Benzyl acrylate
- Cas Number:
- 2495-35-4
- Molecular formula:
- C10H10O2
- IUPAC Name:
- benzyl acrylate
Constituent 1
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.436
- Remarks on result:
- other: The result has been obtained by using EPISuite Kowwin v1.68 Estimate
Applicant's summary and conclusion
- Conclusions:
- Using the EPISuite Kowwin v1.68 Estimate the Log Kow value has been calculated as 2.436.
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.
