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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:
08-Dec-2015
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)
GLP compliance:
yes (incl. certificate)
Remarks:
Staatliches Gewerbeaufsichtsamt Hildeshelm
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Key result
Type:
log Pow
Partition coefficient:
3.46
Temp.:
23.3 °C
Remarks on result:
other: Temperature of HPLC column

Results of Test Item Analysis

The table shows the retention time data and calculated log k values for the test item. Two individual log Pow values were derived under consideration 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

 

tR(min)

k

Log k

Log Pow

 

 

 

1stcalibration

2ndcalibration

6.367

10.3

1.01

3.46 ± 0.06

3.31 to 3.62 (95 % CI)

3.46 ± 0.06

3.29 to 3.62 (95 % CI)

Mean

6.380

10.3

1.01

 

6.374

10.3

1.01

3.46

 

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. Finally, a mean value was calculated from these individual log Pow values.

Based on these data a log Pow of 3.46 for the test item was determined.

Conclusions:
A log Pow of 3.46 (at 23.3 °C) was determined for the test substance according to EU Method A.8.

Executive summary:

The study was conducted in accordance with OECD TG 117 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance. Using the HPLC method partition coefficient Pow was determined to be 3.46 at 23.3 °C. The determination was performed at 23.3 °C, but the values obtained can be considered to represent the values at ambient temperature. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.

Description of key information

Log Pow: 3.46 at 23.3 °C (EU Method A.8., HPLC method)

Key value for chemical safety assessment

Log Kow (Log Pow):
3.46
at the temperature of:
23.3 °C

Additional information

A study was conducted in accordance with OECD TG 117 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance. Using the HPLC method partition coefficient Pow was determined to be 3.46 at 23.3 °C. The determination was performed at 23.3 °C, but the values obtained can be considered to represent the values at ambient temperature. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.