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Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

Reference
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 modelling databases.
Qualifier:
according to guideline
Guideline:
other: refer principle below
Principles of method if other than guideline:
To estimate octanol water partition coefficient of the 2-phenylethyl pentanoate (CAS no. 7460-74-4)
GLP compliance:
not specified
Type of method:
other: estimation
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
- Name of the test material: 2-phenylethyl pentanoate
- IUPAC name: 2-phenylethyl pentanoate
- Molecular formula: C13H18O2
- Molecular weight: 206.283 g/mol
- Smiles notation: O=C(OCCc1ccccc1)CCCC
- InChl: 1S/C13H18O2/c1-2-3-9-13(14)15-11-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3
- Substance type: Organic
Key result
Type:
log Pow
Partition coefficient:
4.04
Remarks on result:
other: other details not available
Conclusions:
The estimated octanol water partition coefficient i.e., log POW of the test chemical 2-phenylethyl pentanoate (CAS no. 7460-74-4) was 4.04.
Executive summary:

Octanol water partition coefficient of the 2-phenylethyl pentanoate (CAS no. 7460 -74 -4) was estimated. The estimated log POW of the 2-phenylethyl pentanoate was 4.04. On the basis of estimated value, the 2-phenylethyl pentanoate can be considered as slightly hydrophillic in nature.

Description of key information

Octanol water partition coefficient of the 2-phenylethyl pentanoate (CAS no. 7460 -74 -4) was estimated. The estimated log POW of the 2-phenylethyl pentanoate was 4.04. On the basis of estimated value, the 2-phenylethyl pentanoate can be considered as slightly hydrophillic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):
4.04
at the temperature of:
25 °C

Additional information

Octanol water partition coefficient of the 2-phenylethyl pentanoate(CAS no. 7460-74-4) was estimated. The estimated log POW of the 2-phenylethyl pentanoate was 4.04. On the basis of estimated value, the 2-phenylethyl pentanoate can be considered as slightly hydrophillic in nature.