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Physical & Chemical properties

Partition coefficient

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Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Experimental starting date: 22/11/2016 - Experimental completion date: 12/12/2016
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
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC 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:
SOURCE OF TEST MATERIAL
- Code number of the test material as used in the study report: FAT 40278/D TE
- Source and lot No.of test material: Lot: AT-PD16-493A1
- Appearance: Dark blue powder
Analytical method:
photometric method
Key result
Type:
log Pow
Partition coefficient:
> 6.9
Temp.:
20 °C
Remarks on result:
other: pH not specified
Type:
Pow
Partition coefficient:
> 7 691 701
Temp.:
20 °C
Remarks on result:
other: pH not specified
Details on results:
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. According to this preliminary test the solubility of the test item in n-octanol is above 4 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

s: saturation

As the cs octanol is about 4 g/L and the cs water = < 0.85 μg/L (preliminary test) are known, the partition coefficient was calculated as log Pow ~ 6.7.
Due to the fact that the estimated log Pow is above 4, 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 of 3 experiments: 6.5 g/L
The recovery range from 98.0 to 99.6 % indicates a sufficient accuracy of the analytical method.

By means of the flask method, the saturation concentration of the test item in water was determined to: Cs water < 0.85 μg/L

Calculation of the partition coefficient log Pow from the individual solubilities:
By means of the flask method, the saturation concentration of the test item in n-octanol was determined to be: Cs octanol = 6.5 g/L
By means of the flask method, the saturation concentration of the test item in water was determined to be: Cs water <0.85 μg/L.

Pow = Cs octanol / Cs water: 6.5 g/L /<0.00000085 μg/L.
Pow: >7691701
Log pow: > 6.9
Conclusions:
The n-octanol/water partition coefficent (log Pow) of FAT 40278/D was determined to be >6.9.
Executive summary:

The n-octanol/water partition coefficient of FAT 40278/D was evaluated according to OECD Guideline 107 and 117 as well as EU Method A.8. Flask method was used for this purpose. Based on the findings of the study, the n-octanol/water partition coefficent (log Pow) of the test item at 20 °C, from the individual solubility in water and n-octanol, was determined to be >6.9.

Description of key information

The n-octanol/water partition coefficient of FAT 40278/D was evaluated according to the OECD Guideline 107 and 117 as well as EU Method A.8. Flask method was used for this purpose. Based on the findings of the study, the n-octanol/water partition coefficent (log Pow) of the test item at 20 °C, from the individual solubility in water and n-octanol, was determined to be >6.9.

Key value for chemical safety assessment

Log Kow (Log Pow):
6.9
at the temperature of:
20 °C

Additional information