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Physical & Chemical properties

Partition coefficient

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Administrative data

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
from 2011-03-23 to 2011-11-02
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
< 0.3
Temp.:
23 °C
pH:
6.1

As the retention time of the test item peak was below the one of 2-butanone (log Pow = 0.3), the log Pow is estimated to be <0.3. Additionally the solubility of the test item in n-octanol was tested. The solubility of the test item in n-octanol is ≥11 mg/L < 116 mg/L at 23 °C.

The theoretical values of log Pow (calculated with EPIWIN software) of the test item is -3.15.

Conclusions:
As the retention time of the test item peak was below the one of 2-butanone (log Pow = 0.3), the log Pow is estimated to be <0.3.
Executive summary:

A study was conducted in accordance with OECD TG 117 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance using the HPLC method. A solution of the test substance was prepared in water : acetonitrile = 75 :25 (v/v) (46.78 mg). A mixture of reference compounds was used (10.8 - 264.7 mg in 30 mL acetonitrile and water to 100 mL). As the retention time of the test item peak was below the one of 2-butanone (log Pow = 0.3), the partition coefficient log Pow of the test item was determined to be log Pow < 0.3. The determination was performed at 23 °C. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.

Description of key information

As the retention time of the test item peak was below the one of 2-butanone (log Pow = 0.3), the log Pow is estimated to be <0.3.

Key value for chemical safety assessment

Additional information

A study was conducted in accordance with OECD TG 117 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance using the HPLC method (reference 4.7-1). A solution of the test substance was prepared in water : acetonitrile = 75 :25 (v/v) (46.78 mg). A mixture of reference compounds was used (10.8 - 264.7 mg in 30 mL acetonitrile and water to 100 mL). As the retention time of the test item peak was below the one of 2-butanone (log Pow= 0.3), the partition coefficient log Pow of the test item was determined to be log Pow < 0.3. The determination was performed at 23 °C. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.