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EC number: 212-480-0 | CAS number: 821-55-6
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Justification for type of information:
- data is from authoritative databases
- Qualifier:
- according to guideline
- Guideline:
- other: as below
- Principles of method if other than guideline:
- To determine the octanol- water partition coefficient of nonan-2-one
- GLP compliance:
- not specified
- Type of method:
- other: not specified
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): 2-nonanone
- Molecular formula: C9H18O
- Molecular weight: 142.24g/mol
- Smiles notation: C(CCCCC)CC(C)=O
- InChI: 1S/C9H18O/c13456789(2)10/h38H2,12H3
- Substance type: Organic
- Physical state: colorless to pale yellow clear oily liquid - Key result
- Type:
- log Pow
- Partition coefficient:
- 3.14
- Remarks on result:
- other: Other details not available
- Conclusions:
- The experimental octanol-water partition coefficient (Log Kow) of Nonan-2-one was reported as 3.14
- Executive summary:
Data from handbooks and authoritative databases suggests that the experimental octanol-water partition coefficient (Log Kow) of Nonan-2-one was 3.14
Reference
Description of key information
Data from handbooks and authoritative databases suggests that the experimental octanol-water partition coefficient (Log Kow) of Nonan-2-one was 3.14
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.14
Additional information
Data from handbooks and authoritative databases suggests that the experimental octanol-water partition coefficient (Log Kow) of Nonan-2-one was 3.14
KOWWIN v1.68 was used to estimate the octanol- water partition coefficient of nonan-2-one. The estimated octanol-water partition coefficient (Log Kow) of Nonan-2-one was 2.71
The experimental and estimated values indicate that nonan-2 -one is hydrophillic in nature, which is also supported by its moderate solubility in water.
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