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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:
18 Feb 2015 to 19 Feb 2015
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reference:
Composition 0
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
Test material information:
Composition 1
Key result
Type:
log Pow
Partition coefficient:
3.45
Temp.:
22.4 °C
Remarks on result:
other: The pH of mobile phase was neutral (pH = 7).

Results of Test Item Analysis

The table below 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

4.028

7.74

0.889

3.45 ± 0.04

3.32 to 3.57

(95 % CI)

3.45 ± 0.04

3.32 to 3.57

(95 % CI)

Mean

4.031

7.74

0.889

 

4.030

7.74

0.889

3.45

 

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 3.45 for the test item was determined.

 

Summarized results of the partition coefficients

Log Pow

 

1stcalibration

2ndcalibration

Mean

3.45 ± 0.04

3.32 to 3.57 (95 % CI)

3.45 ± 0.04

3.32 to 3.57 (95 % CI)

3.45

Conclusions:
A log Pow of 3.45 (at 22.4 °C) was determined for the test substance according to EU Method A.8.

Description of key information

Log Pow: 3.45 at 22.4 °C (EU Method A.8, HPLC method)

Key value for chemical safety assessment

Log Kow (Log Pow):
3.45
at the temperature of:
22.4 °C

Additional information