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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:
2015
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
GLP compliance:
no
Type of method:
flask method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
None
Analytical method:
photometric method
Key result
Type:
Pow
Partition coefficient:
0.001
Temp.:
20 °C
Remarks on result:
other: pH not specified
Key result
Type:
log Pow
Partition coefficient:
-3.06
Temp.:
20 °C
Remarks on result:
other: pH not specified

Preliminary Visual Estimation of the n-Octanol Solubility

10 mg of the test item were stirred with different amounts of n-octanol at room temperature and visually checked for any undissolved particles.

According to this preliminary test the solubility of the test item in n-octanol is below 1 g/l (without correction of the purity).

Calculation of the Partition Coefficient log Pow from the Preliminary Tests

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

Pow = cs octanol / cs water

Where, s: saturation

With the data obtained from the above experiments (cs octanol< 1 g/l) and the preliminary test (cs water= 296 g/l), the partition coefficient was calculated as log POW -2.5.

Due to the fact that the estimated log Pow is below -2, the partition coefficient n-octanol/water has to be estimated from the individual solubilities in water and n-octanol.

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

Average experiments A to C: 255.7 mg/l

The recovery range from 98.3 % to 100.8 % indicates a sufficient accuracy of the analytical method.

Calculation of the Partition Coefficient log Pow from the Individual Solubility

By means of the flask method, the saturation concentration of the test item in n-octanol was determined to: cs octanol = 0.2557 mg/l

By means of the flask method, the saturation concentration of the test item in water was determined to: cs water = 296.0 mg/l

Hence, the Pow = 8.64*10 -4

log Pow = -3.06

Conclusions:
The n-octanol/water partition coefficient of the test item was determined to be 0.000864 (log Pow = -3.06).
Executive summary:

The partition coefficent of the test item was determined in a study conducted according to OECD Guideline 107 and EU Method A.8. Shake flask method was used for this purpose. Based on the findings of the study, the n-octanol/water partition coefficient of the test item was determined to be 0.000864 (log Pow = -3.06).

Description of key information

The n-octanol/water partition coefficient of the test item was determined to be 0.000864 (log Pow = -3.06).

Key value for chemical safety assessment

Log Kow (Log Pow):
-3.06
at the temperature of:
20 °C

Additional information

The partition coefficent of the test item was determined in a study conducted according to OECD Guideline 107 and EU Method A.8. Shake flask method was used for this purpose. Based on the findings of the study, the n-octanol/water partition coefficient of the test item was determined to be 0.000864 (log Pow = -3.06).