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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:
14-Nov-2014 to 15-Nov-2014
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
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
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
1.76
Temp.:
22.8 °C
pH:
7

Results of Test Item Analysis

Retention time data and calculated log k values for the two isomer signals of the test item.

Two individual log Pow values for the test item were derived under consideration of the first and second calibration. Finally, a mean value was calculated from the individual log Pow values.

An individual log Pow value of 1.76 ± 0.07 (95 % CI 1.59 to 1.94) was obtained with both calibrations. The individual values did not differ more than ± 0.1 log Pow units.

Based on these data a mean value of 1.76 was derived.

 

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

Test item:

[TRADE NAME]

tR(min)

k

Log k

Log Pow

2.959

4.449

0.648

1stcalibration

2ndcalibration

2.959

4.449

0.648

1.76+0.07

1.59 to 1.94 (95% CI)

1.76+0.07

1.59 to 1.94 (95% CI)

Mean

2.959

4.449

0.648

1.76

 

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. Based on this data a log Powvalue of 1.76 was determined for the test item.

 

Conclusions:
A log Pow value of 1.76 (at 22.8 °C) was determined for the test substance according to E.U Method A.8.

Description of key information

Log Pow: 1.76 at 22.8 °C (EU Method A.8, HPLC method)

Key value for chemical safety assessment

Log Kow (Log Pow):
1.76
at the temperature of:
22.8 °C

Additional information