Registration Dossier

Diss Factsheets

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
from 09 April, 2019 to 12 April, 2019
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
GLP compliance:
not specified
Type of method:
flask method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Identification: FAT 11127/E TE
Lot: 2024 (Thailand)
Appearance: Dark blue powder
Analytical method:
high-performance liquid chromatography
Key result
Type:
Pow
Partition coefficient:
ca. 0.007
Temp.:
20 °C
Remarks on result:
other: pH not specified
Key result
Type:
log Pow
Partition coefficient:
ca. -2.16
Temp.:
20 °C
Remarks on result:
other: pH not specified

Individual Results

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. The test item did not dissolve in upto 900 ml n-octanol. According to this preliminary test the solubility of the test item in n-octanol is below 0.01 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 experiments (cs octanol < 0.01 g/l) and the preliminary test (cs water = 0.255 g/l), the partition coefficient was calculated as log POW < -2.4.

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: 1.75 mg/l

The recovery ranged from 96.6 % to 99.5 % indicates a sufficient accuracy of the analytical method.

Calculation of the partition coefficient log Pow from the individual solubility in water and n-octanol

By means of the flask method, the saturation concentration of the test item in n-octanol was determined to: cs octanol = 0.00175 g/l

By means of the flask method, the saturation concentration of the test item in water was determined to: cs water = 0.255 g/l

Pow = cs octanol / cs water

0.00175 g/l / 0.255 g/l = 0.0069

log Pow = - 2.16

Conclusions:
The partition coefficent n-octanol/water of the test item at 20 °C, from the individual solubility in water and n-octanol, was determined to be -2.16 (log Pow).
Executive summary:

The partition coefficent n-octanol/water of the test item (FAT 11127/E) was determined according to flask method speficied in OECD test guideline 107. Based on the individual solubility of test item in n-octanol and water, the n-octanol/water partition coefficient was determined to be -2.16 (log Pow).

Description of key information

The partition coefficent n-octanol/water of the test item at 20 °C, from the individual solubility in water and n-octanol, was determined to be -2.16 (log Pow).

Key value for chemical safety assessment

Log Kow (Log Pow):
-2.16
at the temperature of:
20 °C

Additional information

The partition coefficent n-octanol/water of the test item (FAT 11127/E) was determined according to flask method speficied in OECD test guideline 107. Based on the individual solubility of test item in n-octanol and water, the n-octanol/water partition coefficient was determined to be -2.16 (log Pow).