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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:
Study initiation date: 2 November 2009 Study completion date: 10 March 2010
Reliability:
1 (reliable without restriction)
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
Pow
Partition coefficient:
5 012
Temp.:
25 °C
pH:
7
Type:
log Pow
Partition coefficient:
3.7
Temp.:
25 °C
pH:
7

Plotting the logarithmic values for the experimentally determined capacity factors k' against the respective logarithmic values for the partition coefficients POW of the five reference substances leads to a regression equation of:

y = 2.5546x + 2.3374 with y=log(POW) and x=log(k') and R²=0.9755.

Conclusions:
The partition coefficient n-octanol water (Pow) of the test item was determined according to OECD guideline no. 117 [adopted on 13 April 2004] and EU test method A.8 [Directive 92/69/EEC, Official Journal L 383 A 1992] with the HPLC method.

Partition coefficient n-octanol water (Pow):
Pow = 5012 / log Pow = 3.7
Executive summary:

The partition coefficient n-octanol / water (Pow) of the test item was determined according to OECD guideline no. 117 [adopted on 13 April 2004] and EU test method A.8 [Directive 92/69/EEC, Official Journal L 383 A 1992] with the HPLC method. Partition coefficient n-octanol / water (Pow): Pow = 5012 / log Pow = 3,7

The test(s) used to generate this report was(were) carried out in compliance with the principles of Good Laboratory Practice (GLP) in accordance with the currently valid German Chemical Substance Act (Chemikaliengesetz – ChemG), the underlying Commission Directive 2004/10/EC of 11 February 2004 and the relevant OECD decision of the council on 26 November 1997 and that the results fully reflect those found in the study.

 

Description of key information

The partition coefficient n-octanol water (Pow) of the test item was determined according to OECD guideline no. 117 [adopted on 13 April 2004] and EU test method A.8 [Directive 92/69/EEC, Official Journal L 383 A 1992] with the HPLC method.

Therefore, the capacity factors of different reference compounds with well-known partition coefficients were determined. Plotting both values logaritmically against each other results in a regression equation which can be used to calculate the partition coefficients of the test item based on the measured capacity factor. Two compounds have been identified with a partition coefficient of 3.7.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.7
at the temperature of:
25 °C

Additional information