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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 Feb to 29 Mar 2019
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:
Department of Health of the Government of the United Kingdom, Medicines and Heathcare products Regulatory Agency (MHRA)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
4.64
Remarks on result:
other: Oven temperature of GC was 30 °C.

Results

Preliminary Estimate

The log10 Pow was calculated to be 3.56.

Definitive Test

Calibration

The retention times of the dead time and the retention times, capacity factors and log10 Pow values for the samples are shown in the following table:

Table 2

Injection

Retention Time (min)

Capacity Factor (k')

Log10 k'

Log10 Pow

1

14.009

7.59

0.880

4.64

2

14.004

7.59

0.880

4.64

Mean log10 Pow = 4.64

Partition coefficient = 4.40 x 104

Conclusion

The partition coefficient of the test item has been determined to be 4.40 x 104, log10 Pow of 4.64.

Description of key information

Log Kow: 4.64 (OECD 117, HPLC method)

Key value for chemical safety assessment

Log Kow (Log Pow):
4.64
at the temperature of:
20 °C

Additional information