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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Initiation: 23.07.2010. Completion: 23.08.2010
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Study performed according to GLP and guideline
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
-Commercial name: Amyl Salicylate
-Chemical nature: Mixture of Pentyl 2-hydroxybenzoate and 3-Methylbutyl 2-hydroxybenzoate
- Physical state: Liquid
- Analytical purity: 98.5% (GC sum of two isomers)
- Lot/batch No.: 261891
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
4.4
Temp.:
30 °C
Remarks on result:
other: Isomer 1
Type:
log Pow
Partition coefficient:
4.5
Temp.:
30 °C
Remarks on result:
other: Isomer 2
Details on results:
Detailed results are given in Appendices 1 and 2 and illustrated by the graph in Appendix 3.
Conclusions:
The partition coefficients n-octanol/water corresponding to the two isomers of Amyl Salicylate are: log Pow = 4.4 and log Pow = 4.5
Executive summary:

The partition coefficient n-octanol/water of Amyl Salicylate has been determined by the Reverse Phase High Performance Liquid Chromatographic Method according to OECD Guideline 117. The partition coefficients n-octanol/water corresponding to the two isomers of Amyl Salicyalte are: log Pow = 4.4 and log Pow = 4.5.

Description of key information

The partition coefficients n-octanol/water corresponding to the two isomers of Amyl Salicylate are: log Pow = 4.4 and log Pow = 4.5.
The distribution in relative peak area is 1/3rd at LogPow of 4.4 and 2/3rds at LogPow of 4.5. In order to select the key value for Log Pow, a weighted-average of both has been calculated, yielding an overall LogPow of 4.47.

Key value for chemical safety assessment

Log Kow (Log Pow):
4.47

Additional information

The partition coefficient n-octanol/water of Amyl Salicylate has been determined by the Reverse Phase High Performance Liquid Chromatographic Method according to OECD Guideline 117. The partition coefficients n-octanol/water corresponding to the two isomers of Amyl Salicylate are: log Pow = 4.4 and log Pow = 4.5.


The distribution in relative peak area is 1/3rd at LogPow of 4.4 and 2/3rds at LogPow of 4.5. In order to select the key value for Log Pow, a weighted-average of both has been calculated, yielding an overall LogPow of 4.47.


N.B: The determination was performed at 30°C (temperature of the column), but the value obtained above can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log Pow values were determined. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.