Registration Dossier
Registration Dossier
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EC number: 254-898-6 | CAS number: 40379-24-6
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 computational model developed by USEPA
- Qualifier:
- according to guideline
- Guideline:
- other: Modelling database
- Principles of method if other than guideline:
- Estimation of octanol water partition coefficient of the test substance 7-methyloctyl acetate.
- GLP compliance:
- not specified
- Other quality assurance:
- other: No data
- Type of method:
- other: No data available
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- - Name of test material : 7-methyloctyl acetate
- Common name : Isononyl acetate
- Molecular formula : C11H22O2
- Molecular weight : 186.293 g/mol
- Smiles notation : C(C)(=O)OCCCCCCC(C)C
- InChl : 1S/C11H22O2/c1-10(2)8-6-4-5-7-9-13-11(3)12/h10H,4-9H2,1-3H3
- Substance type: Organic
- Physical state: Liquid - Key result
- Type:
- log Pow
- Partition coefficient:
- 4.22
- Remarks on result:
- other: Partition coefficient ranges from 4.22-4.24
- Details on results:
- The LogPow of the test chemical 7-methyloctyl acetate was estimated to be 4.22.
- Conclusions:
- The partition coefficient (log Pow) value of the substance 7-methyloctyl acetate was estimated to be 4.22.
- Executive summary:
KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance 7-methyloctyl acetate (40379 -24 -6). The partition coefficient (log Pow) value was estimated by EPI suite for the substance 7-methyloctyl acetate was estimated to be 4.22.
Reference
Description of key information
KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance 7-methyloctyl acetate (40379 -24 -6). The partition coefficient (log Pow) value was estimated by EPI suite for the substance 7-methyloctyl acetate was estimated to be 4.22.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.22
Additional information
KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance 7-methyloctyl acetate (40379 -24 -6). The partition coefficient (log Pow) value was estimated by EPI suite for the substance 7-methyloctyl acetate was estimated to be 4.22.
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