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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:
27 to 28 October 2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
GLP compliance:
yes (incl. certificate)
Remarks:
Staatliches Gewerbeaufsichtsamt Hildesheim
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
2.39
Temp.:
22.7 °C
Remarks on result:
other: pH not relevant
Remarks:
No pH value was measured because the mobile phase was neutral and the test item did not have functional groups able to influence on the pH value of the mobile phase.

Temperature

The mean temperature during the course of the study was 22.7 °C (inside the range of 20 - 25 °C ± 1 °C).

 

Determination of the Void Time

The mean void time (determined by threefold injection) was 0.729

 

Calibration

The calculated slope, Y-intercept and correlation coefficient for the first and second calibration of the reference items are shown in the table below. The correlation coefficient r for both calibrations was > 0.9.

 

Slope, Y-intercept and Correlation Coefficient of the Regression Line

 

1st Calibration

2nd Calibration

slope

1.864

1.865

Y-intercept

0.8249

0.8230

r2

0.9926

0.9927

r

0.9963

0.9964

r: Correlation Coefficient

r2: Coefficient of determination

 

 

Results of Test Item Analysis

Two individual log Pow values for the test item were derived under consideration of the first and second calibration and a mean value was calculated from these individual log Pow values. The results are reported in the table below.

 

 

Test Item

tR

[min]

k

log k

log Pow

1st Calibration

2nd Calibration

5.794

6.94

0.842

2.39 ± 0.04

2.28 to 2.51 (95 % CI)

2.39 ± 0.04

2.28 to 2.50 (95 % CI)

5.793

6.94

0.842

Mean

5.794

6.94

0.842

2.39

tR: Retention time

k: Capacity factor test item

Pow: Partition Coefficient (n-octanol / water)

CI: Confidence Interval

Conclusions:
A log Pow of 2.39 at 22.7°C was determined for the test substance according to OECD 117.

Description of key information

Log Kow: 2.39 at 22.7 °C (OECD 117, HPLC method)

Key value for chemical safety assessment

Log Kow (Log Pow):
2.39
at the temperature of:
22.7 °C

Additional information