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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:
November from 07th to 08th, 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
test procedure in accordance with generally accepted scientific standards and described in sufficient detail
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
adopted 13 April 2004
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
4.03
Temp.:
25 °C
Remarks on result:
other: HPLC test
Details on results:
The determined log Pow: 4.03 ± 0.001 (95 % confidence interval).
The estimated Pow: 10666 ± 32.85 (95 % confidence interval).
Quality criteria were met as values of log Pow derived from individual measurements fell within a range of 0.1 log units.

Measured and calculated data of test item

Test Item name Retention time (min) log k log Pow Pow Repeatability
log unit
Test item 8.01 0.589 4.03 10645 0.002
8.01 0.589 4.03 10645
8.01 0.589 4.03 10645
8.01 0.589 4.03 10645
8.02 0.59 4.03 10706
8.02 0.59 4.03 10706
Mean 8.01 0.59 4.03 10666 -
Conf.int.(95 %) - - 0.001 32.85 -
CV % 0.06 - - - -
Conclusions:
log Pow: 4.03 ± 0.001 (95 % confidence interval).
Pow: 10666 ± 32.85 (95 % confidence interval).
Executive summary:

The purpose of the study was to determine the partition coefficient of test item using HPLC method. The partition coefficient (P) is defined as the ratio of the equilibrium concentrations of a dissolved substance in a two-phase system. In the case of HPLC analysis, there is a partitioning between the mobile solvent phase and the hydrocarbon stationary phase. The relationship between the retention time on a reverse-phase column and the n-octanol/water partition coefficient is established.

In the course of the study, the partition coefficient (Pow) of test item was determined using high performance liquid chromatography.

The determined log Pow was 4.03 ± 0.001 (95 % confidence interval) and the Pow resulted to be 10666 ± 32.85 (95 % confidence interval).

Conclusion

log Pow: 4.03 ± 0.001 (95 % confidence interval).

Pow: 10666 ± 32.85 (95 % confidence interval).

Description of key information

log Pow: 4.03 ± 0.001 (95 % confidence interval)

Pow: 10666 ± 32.85 (95 % confidence interval)

Key value for chemical safety assessment

Log Kow (Log Pow):
4.03
at the temperature of:
25 °C

Additional information

OECD 117 - HPLC method