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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:
04-Nov-2015 to 02-Dec-2015
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reference:
Composition 0
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
GLP compliance:
yes (incl. certificate)
Remarks:
Staatliches Gewerbeaufsichtsamt Hildeshelm
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Test material information:
Composition 1
Key result
Type:
log Pow
Partition coefficient:
2.23
Temp.:
24.7 °C
Remarks on result:
other: No pH value was measured for this mobile phase, because it is neutral.

Results of Test Item Analysis

The mean temperature of 24.7 °C was inside the range of 20 - 25 °C ± 1 °C during the course of the study.

The table contains the retention time data and calculated log k values of the test item. Two individual log Pow values were derived under consideraton of the first and second calibration. Finally, a mean value was calculated from these individual log Pow values.

Retention Times, Capacity Factors and Partition Coefficients of the test item

Test item

tR (min)

k

Log k

Log Pow

5.647

8.89

0.949

1st calibration

2nd calibration

5.649

8.89

0.949

2.23 + 0.05

2.10 to 2.36 (95% CI)

2.23 + 0.05

2.10 to 2.36 (95% CI)

Mean

5.648

8.89

0.949

2.23

 

tR: Retention time

k: Capacity factor test item

Pow : Partition Coefficient (n-octanol / water)

CI : Confidence Interval

 

Conclusions

Two individual log Pow values for the test item were derived under consideration of the first and second calibration. A mean value was calculated from these individual log Pow values to be 2.23.

Conclusions:
A log Pow range of 2.23 (at 24.7 °C) was determined for the two isomers of the test item according to E.U. Method A.8.

Description of key information

Log Pow: 2.23 at 24.7 °C (EU Method A.8, HPLC method)

Key value for chemical safety assessment

Log Kow (Log Pow):
2.23
at the temperature of:
24.7 °C

Additional information