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Partition coefficient

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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.
Reference:
Composition 1
Composition 2
Composition 3
Qualifier:
according to
Guideline:
other: refer principle below
Principles of method if other than guideline:
To estimate octanol water partition coefficent of test chemical (2E)-3,7-dimethylocta-2,6-dien-1-yl 2-phenylacetate ( CAS no. 102-22-7)
GLP compliance:
not specified
Type of method:
other: estimated
Partition coefficient type:
octanol-water
Test material information:
Composition 1
Specific details on test material used for the study:
Name of the test chemical: (2E)-3,7-dimethylocta-2,6-dien-1-yl 2-phenylacetate
Common Name: Geranyl phenylacetate
Molecular formula: C18H24O2
Molecular weight: 272.3856 g/mol
Smiles Notation: c1(CC(OC\C=C(\CC\C=C(\C)C)C)=O)ccccc1
InChI: 1S/C18H24O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,8,10-12H,7,9,13-14H2,1-3H3/b16-12+
Substance Type: Organic
Physical State: Liquid (colorless)
Key result
Type:
log Pow
Partition coefficient:
6.18
Temp.:
25 °C
Remarks on result:
other: other details not available
Conclusions:
The octanol water partition coefficent (log Pow) of chemical (2E)-3,7-dimethylocta-2,6-dien-1-yl 2-phenylacetate was estimated to be 6.18 at temperrature 25 oC.
Executive summary:

The octanol water partition coefficent (log Pow) of chemical (2E)-3,7-dimethylocta-2,6-dien-1-yl 2-phenylacetate (102 -22 -7) was estimated to be 6.18 at temparature 25oC. By this log Pow value chemical (2E)-3,7-dimethylocta-2,6-dien-1-yl 2-phenylacetate is considered as hydrophobic in nature.

Description of key information

The octanol water partition coefficent (log Pow) of chemical (2E)-3,7-dimethylocta-2,6-dien-1-yl 2-phenylacetate (102 -22 -7) was estimated to be 6.18 at temparature 25oC. By this log Pow value chemical (2E)-3,7-dimethylocta-2,6-dien-1-yl 2-phenylacetate is considered as hydrophobic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):
6.18
at the temperature of:
25 °C

Additional information

The octanol water partition coefficent (log Pow) of chemical (2E)-3,7-dimethylocta-2,6-dien-1-yl 2-phenylacetate (102 -22 -7) was estimated to be 6.18 at temparature 25oC. By this log Pow value chemical (2E)-3,7-dimethylocta-2,6-dien-1-yl 2-phenylacetate is considered as hydrophobic in nature.