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Physical & Chemical properties

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 authoritative databases
Qualifier:
according to
Guideline:
other: estimated data
Principles of method if other than guideline:
To estimate the octanol water partition coefficient of citral diethyl acetal
GLP compliance:
not specified
Type of method:
calculation method (fragments)
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
- Name of test material: 1,1-diethoxy-3,7-dimethylocta-2,6-diene
- Common name: Citral diethyl acetal
- Molecular formula: C14H26O2
- Molecular weight: 226.357 g/mol
- Smiles notation: C(\C=C(\CC\C=C(/C)C)C)(OCC)OCC
- InChl: 1S/C14H26O2/c1-6-15-14(16-7-2)11-13(5)10-8-9-12(3)4/h9,11,14H,6-8,10H2,1-5H3/b13-11+
- Substance type: Organic
- Physical state: Liquid
Key result
Type:
log Pow
Partition coefficient:
4.82
Remarks on result:
other: estimated data
Conclusions:
The estimated octanol water partition coefficient (log Pow) of Citral diethyl acetal was 4.82
Executive summary:

Data from various authoritative databases suggests that the estimated octanol water partition coefficient (log Pow) of Citral diethyl acetal was 4.82.This value indicates that citral diethyl acetal is hydrophobic in nature.

Description of key information

Data from various authoritative databases suggests that the estimated octanol water partition coefficient (log Pow) of Citral diethyl acetal was 4.82.This value indicates that citral diethyl acetal is hydrophobic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):
4.82

Additional information

Data from various authoritative databases suggests that the estimated octanol water partition coefficient (log Pow) of Citral diethyl acetal was 4.82.This value indicates that citral diethyl acetal is hydrophobic in nature.