Registration Dossier
Registration Dossier
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EC number: 204-582-9 | CAS number: 122-91-8
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Data is from EPI suite & DANISH Q(S)AR database
- Qualifier:
- according to guideline
- Guideline:
- other: Modeling database
- Principles of method if other than guideline:
- KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance (4-methoxyphenyl)methyl formate.
- GLP compliance:
- not specified
- Type of method:
- other: estimated data
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- - Name of test material: (4-methoxyphenyl)methyl formate
- Molecular formula: C9H10O3
- Molecular weight: 166.175 g/mol
- Smiles notation: c1(ccc(OC)cc1)COC=O
- InChl: 1S/C9H10O3/c1-11-9-4-2-8(3-5-9)6-12-7-10/h2-5,7H,6H2,1H3
- Substance type: Organic
- Physical state: Liquid - Key result
- Type:
- log Pow
- Partition coefficient:
- 1.615
- Temp.:
- 25 °C
- Remarks on result:
- other: Other details not known
- Details on results:
- The LogPow of the test chemical (4-methoxyphenyl)methyl formate was estimated to be 1.61.
- Conclusions:
- The partition coefficient value of the substance (4-methoxyphenyl)methyl formate was estimated to be 1.161.
- Executive summary:
KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance (4-methoxyphenyl)methyl formate.The partition coefficient (log Pow) value of the substance (4-methoxyphenyl)methyl formate was estimated to be 1.161.
Reference
Description of key information
Based on the available data from modeling databases using the KOWWIN V1.68 programme, the estimated partition coefficient (log Pow) value of the substance (4-methoxy phenyl)methyl formate was 1.161.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.61
- at the temperature of:
- 25 °C
Additional information
Based on the available data from modeling databases using the KOWWIN V1.68 programme, the estimated partition coefficient (log Pow) value of the substance (4-methoxy phenyl)methyl formate was 1.161.
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