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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:
2020-04-09 to 2020-05-01
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 123 (Partition Coefficient (1-Octanol / Water), Slow-Stirring Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
slow-stirring method
Partition coefficient type:
octanol-water
Analytical method:
gas chromatography
Key result
Type:
log Pow
Partition coefficient:
>= 4.69
Temp.:
25 °C
pH:
4.5

Table 1: Results for the determination of the test item














































































































































Sample Description



Time / h



cow/cw1



Log POW



Average value of log POW per replicate



Replicate 1



119



64590



4.81



4.69



Replicate 1



124



56281



4.75



Replicate 1



143



53121



4.73



Replicate 1



149



51834



4.71



Replicate 1



166



43849



4.64



Replicate 1



171



44965



4.65



Replicate 1



192



36140



4.56



Replicate 2



119



61511



4.79



4.69



Replicate 2



124



63169



4.80



Replicate 2



143



52573



4.72



Replicate 2



149



45993



4.66



Replicate 2



166



39965



4.60



Replicate 2



171



36073



4.56



Replicate 2



192



72901



4.86



Replicate 3



119



53550



4.73



4.69



Replicate 3



124



62613



4.80



Replicate 3



143



46776



4.67



Replicate 3



149



51749



4.71



Replicate 3



166



51633



4.71



Replicate 3



171



44091



4.64



Replicate 3



192



37733



4.58



1 exact values (shown one digit after the decimal point) calculated using calibration curves


Values in italic were considered as outliers and therefore excluded from the calculation.


weighted average value of log POW: 4.692


weighted standard deviation: 1.22E-03

Conclusions:
The log Pow of the test item was determined to be ≥ 4.69 at 25 °C and pH 4.5.
Executive summary:

An experimental study was performed to determine the water-octanol partition coefficient of the test item according to OECD Guideline 123 and Regulation (EC) No. 440/2008, Method A.8 using the Slow Stirring Method. 950 mL of the water pre-saturated with 1-octanol and 50 mL of test solution dissolved in 1-octanol pre-saturated with buffer were filled into test vessels and stirred between 119 and 192 hours. Samples of both phases were taken for subsequent analysis. The test item content was determined by LC-MS/MS. The partition coefficient was calculated based on the results of the analytical determination. The log Pow of the test item was determined to be ≥ 4.69 at 25 °C and pH 4.5.

Description of key information

The log Pow of the test item was determined to be ≥ 4.69 at 25 °C and pH 4.5 (reference 4.7-1).

Key value for chemical safety assessment

Log Kow (Log Pow):
4.69
at the temperature of:
25 °C

Additional information

An experimental study was performed to determine the water-octanol partition coefficient of the test item according to OECD Guideline 123 and Regulation (EC) No. 440/2008, Method A.8 using the Slow Stirring Method. 950 mL of the water pre-saturated with 1-octanol and 50 mL of test solution dissolved in 1-octanol pre-saturated with buffer were filled into test vessels and stirred between 119 and 192 hours. Samples of both phases were taken for subsequent analysis. The test item content was determined by LC-MS/MS. The partition coefficient was calculated based on the results of the analytical determination. The log Pow of the test item was determined to be ≥ 4.69 at 25 °C and pH 4.5.