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Diss Factsheets

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:
data from handbook or collection of data
Justification for type of information:
Data is from authoritative and modeling database
Qualifier:
according to guideline
Guideline:
other: as mentioned below
Principles of method if other than guideline:
Estimation of octanol water partition coefficient of the test substance 2-Propen-1-yl butanoate.
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): 2-Propen-1-yl butanoate
- Common name: Allyl butyrate
- Molecular formula: C7H12O2
- Molecular weight: 128.17 g/mol
- Smiles notation: C(OCC=C)(CCC)=O
- InChl: 1S/C7H12O2/c1-3-5-7(8)9-6-4-2/h4H,2-3,5-6H2,1H3
- Substance type: Organic
- Physical state: Liquid
Key result
Type:
log Pow
Partition coefficient:
2.2
Remarks on result:
other: Other details not known
Details on results:
The logKow of test chemical 2-Propen-1-yl butanoate was estimated to be 2.2.
Conclusions:
The partition coefficient (log Pow) value of the substance 2-Propen-1-yl butanoate was estimated to be 2.2.
Executive summary:

The partition coefficient (log Pow) value of the substance 2-Propen-1-yl butanoate was estimated to be 2.2. Based on the estimated value, chemical 2 -Propen-1 -yl butanoate can be considered to be hydrophilic in nature.

Description of key information

Based on the available data from authoritative and modeling databases, the partition coefficient (log Pow) value of the substance2-Propen-1-yl butanoate was estimated to be 2.2. On the basis of the estimated value, chemical 2 -Propen-1 -yl butanoate can be considered to be hydrophilic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):
2.2

Additional information

Based on the available data from authoritative and modeling databases, the partition coefficient (log Pow) value of the substance 2-Propen-1-yl butanoate was estimated to be 2.2.

Additional supporting study from modeling database indicates that the partition coefficient (log Pow) value of the substance 2-Propen-1-yl butanoate was estimated to be 2.16.

Thus, on the basis of logPow value, chemical 2-Propen-1-yl butanoate can be considered to be hydrophilic in nature.