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Partition coefficient

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Reference
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 PubChem authoritative database
Qualifier:
according to
Guideline:
other: as mentioned below
Principles of method if other than guideline:
Determination of octanol water partition coefficient of the test substance 3,3-Dimethyl-8,9-dinorbornan-2-one.
GLP compliance:
not specified
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 (IUPAC name): 3,3-Dimethyl-8,9-dinorbornan-2-one
- Common name: 1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
- Molecular formula: C10H16O
- Molecular weight: 152.2354 g/mol
- Smiles notation: C[C@@]12CC[C@@H](C1)C(C)(C)C2=O
- InChl: 1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m0/s1
- Substance type: Organic
- Physical state: Liquid
Key result
Type:
log Pow
Partition coefficient:
3.52
Remarks on result:
other: Other details not known
Details on results:
The logKow of test chemical 3,3-Dimethyl-8,9-dinorbornan-2-one was determined to be 3.52.
Conclusions:
The partition coefficient (log Pow) value of the substance 3,3-Dimethyl-8,9-dinorbornan-2-one was determined to be 3.52.
Executive summary:

The partition coefficient (log Pow) value of the substance 3,3-Dimethyl-8,9-dinorbornan-2-one was determined to be 3.52. Based on the experimental value, chemical 3,3 -Dimethyl-8,9 -dinorbornan-2 -one can be considered to be hydrophilic in nature.

Description of key information

Based on the available data from authoritative database, the octanol water partition coefficient (log Pow) value of the test substance 3,3-Dimethyl-8,9-dinorbornan-2-one was determined to be 3.52. Based on the experimental value, chemical 3,3 -Dimethyl-8,9 -dinorbornan-2 -one can be considered to be hydrophilic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.52

Additional information

Based on the available data in a key study from authoritative database, the octanol water partition coefficient (log Pow) value of the test substance 3,3 -Dimethyl-8,9 -dinorbornan-2 -onewas determined to be 3.52.

In a supportingstudy from handbook, authoritative and modeling databases, the partition coefficient (log Pow) value of the substance 3,3-Dimethyl-8,9-dinorbornan-2-one was estimated to be 3.04.

Additional study from authoritative database indicates that the octanol water partition coefficient (log Pow) value of the substance 3,3-Dimethyl-8,9-dinorbornan-2-one was estimated to be 3.38.

In a supporting data from modelling database, the octanol- water partition coefficient of the test substance 3,3-Dimethyl-8,9-dinorbornan-2-one was estimated using OPERA V1.02. The estimated LogPow of the test substance 3,3-Dimethyl-8,9-dinorbornan-2-one was evaluated to be 3.15.

Thus, based on the available information, the logPow valueof the test substance 3,3-Dimethyl-8,9-dinorbornan-2-one ranges from 3.04 to 3.52, respectively. On the basis of this experimental and estimated value, chemical 3,3-Dimethyl-8,9-dinorbornan-2-one can be considered to be hydrophilic in nature.

 

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