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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:
2014
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
None
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Deviations:
no
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Deviations:
no
Principles of method if other than guideline:
As per specified guidelines
GLP compliance:
no
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
None
Analytical method:
other: UV/VIS spectrophotometry
Key result
Type:
Pow
Partition coefficient:
0.007
Temp.:
20 °C
Remarks on result:
other: pH not specified
Key result
Type:
log Pow
Partition coefficient:
-2.17
Temp.:
20 °C
Remarks on result:
other: pH not specified

Individual Results

According to this preliminary test the solubility of the test item in n-octanol is about 0.5 g/l.

Calculation of the partition coefficient log Pow from the preliminary tests

The partition coefficient P ow may be estimated from the saturation concentrations in n-octanol and water by the following equation:

P ow = cs octanol /cs water

s= saturation

With the data obtained from the experiments in chapter 3.5.1 (cs = 10 g/l) and in the preliminary test (water solubility: cs = 1.02 g/l) the partition coefficient was calculated as log POW 1.0.

Determination of the solubility in the n-Octanol phase: Flask Method

The values of the measured concentrations of the test item in n-octanol is 0.67 g/l.

With the data obtained from the experiments in chapter 3.5.3 (cs = 0.67 g/l) and in the preliminary test (water solubility: cs = 15.1 g/l) the partition coefficient was calculated as log POW 1.35.

The recovery of 99.7 % indicates a sufficient accuracy of the analytical method.

Shake Flask method (Main test)

A stock solution of the test item was prepared in water: 15.3 mg/100 ml.

Three different experiments (double determination) was started with following ratios of octanol/water: A (1:1); B (1:2); C (2:1)

After phase separation by centrifugation, the total concentration of the test substance was determined by VIS-spectroscopy (507 nm) at 20°C in each phase.

Using the shake flask method, the patition coefficient n-octanol/water was determined to be 0.0069, with the log Pow = -2.17.

Conclusions:
The partition coefficient n-octanol/water of the test item at 20 °C was determined to be: Pow = 0.0069, Log Pow = -2.17
Executive summary:

The partition coefficient n-octanol/water of the test substance was determined in a study conducted according to EU Method A.8, OECD Guideline 107 and OECD Guideline 117. Based on th4 findings of the study, the partition coefficient n-octanol/water of the test substance at 20 °C was determined to be : Pow = 0.0069, Log Pow = -2.17

Description of key information

The partition coefficient n-octanol/water of the test item at 20 °C was determined to be:
Pow = 0.0069
Log Pow = -2.17

Key value for chemical safety assessment

Log Kow (Log Pow):
-2.17
at the temperature of:
20 °C

Additional information

The partition coefficient n-octanol/water of the test substance was determined in a study conducted according to EU Method A.8, OECD Guideline 107 and OECD Guideline 117. Based on th4 findings of the study, the partition coefficient n-octanol/water of the test substance at 20 °C was determined to be : Pow = 0.0069, Log Pow = -2.17