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Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

March from the 24th to the 27th, 2014

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

test procedure in accordance with generally accepted scientific standards and described in sufficient detail

Remarks:

although the values recorded are outside of the applicability domain for the test method, the results can be considered as reliable and representative for the tested substance

Qualifier:

according to guideline

Guideline:

OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)

Version / remarks:

adopted July 27, 1995

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Type:

log Pow

Partition coefficient:

-2.31

Temp.:

20 °C

pH:

6.96 - 7.37

Type:

Pow

Partition coefficient:

0.005

Temp.:

20 °C

pH:

6.96 - 7.37

Details on results:

The partition coefficient (Pow) of test substance in n-octanol - water was determined to be 0.0049 ± 0.0008 (95 % confidence interval) which corresponds to log Pow of -2.31 ± 0.070 (95 % confidence interval) using the shake flask method.

The calculated partition coefficient (P_ow) and logP_ow

Ratio of solvents (n-octanol : water)	Partition coefficient		Log Pow
	Pow	Mean
01:01	0.0048	0.0049	-2.31
	0.0049
	0.0050
02:01	0.0048	0.0046	-2.33
	0.0047
	0.0045
01:02	0.0052	0.0053	-2.28
	0.0055
	0.0052
Mean all ± 95 % confidence interval		0.0049 ± 0.0008	-2.31 ± 0.070
RSD %		6.5	1.2

Results of the test, the measured concentrations of substance in the test vessels and the standard deviations (RSD)

Ratio of solvents (n-octanol:water)	Measured concentration of Test Item (μg/ml)		pH	Measured concentration of Test Item (μg/ml)
	In Aqueous phase	Mean		In n-octanol phase	Mean
1:1	3.82	3.8	6.96	0.019	0.0018
	3.78			0.018
	3.72	3.7	7.17	0.018	0.0018
	3.68			0.018
	3.65	3.66	7.04	0.019	0.0018
	3.66			0.018
Mean	3.72		7.06	0.018
RSD %	1.9			0.8
Measured test item μg	27.89			0.137
Total nominal quantity of test item	27.65 µg
Total quantity of test item	28.0 µg		Recovery: 101 %
1:2	2.74	2.74	7.32	0.014	0.014
	2.74			0.014
	2.78	2.78	7.37	0.015	0.015
	2.77			0.015
	2.79	2.78	7.19	0.014	0.014
	2.77			0.015
Mean	2.77		7.29	0.015
RSD %	0.8			3.5
Measured test item μg	27.65			0.073
Total nominal quantity of test item	27.65 µg
Total quantity of test item	27.7 µg		Recovery: 100 %
2:1	5.46	5.47	7.27	0.027	0.026
	5.49			0.025
	5.49	5.47	7.11	0.025	0.026
	5.46			0.026
	5.83	5.81	7.14	0.026	0.026
	5.79			0.026
Mean	5.59		7.17	0.026
RSD %	3.5			1.1
Measured test item μg	27.93			0.26
Total nominal quantity of test item	27.65 µg
Total quantity of test item	28.2 µg		Recovery: 102 %

 

Conclusions:

log Pow: -2.31 ± 0.070 at 20 °C and pH 6.96 - 7.37
Pow: 0.0049 ± 0.0008 at 20 °C and pH 6.96 - 7.37

Executive summary:

The purpose of this study was to determine the partition coefficient of test item, according to OECD guideline 107. The Pow and log Pow were determined using the shake flask method. Three parallel tests were carried out. The phases were separated and analysed by HPLC method.

The partition coefficient of test item in n-octanol-water was determined to be 0.0049 ± 0.0008 (95 % confidence interval), which corresponds to log Pow of -2.31 ± 0.070 (95 % confidence interval).

Conclusion

Pow: 0.0049 ± 0.0008 at 20 °C and pH 6.96 - 7.37

log Pow: -2.31 ± 0.070 at 20 °C and pH 6.96 - 7.37

Description of key information

Pow: 0.0049 ± 0.0008 at 20 °C and pH 6.96 - 7.37

log Pow: -2.31 ± 0.070 at 20 °C and pH 6.96 - 7.37

Key value for chemical safety assessment

Log Kow (Log Pow):

-2.31

at the temperature of:

20 °C

Additional information

Shake Flask method - OECD 107