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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

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Justification for type of information:

Experimental test results performed using standard test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

GLP compliance:

no

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

1.682

Temp.:

25 °C

Remarks on result:

other: Other details are not known

Observation - 

Table 1:

Reference substances	tR1	tR2	Mean tR ± SD	k	log k	Log Pow
Formamide	1.037	1.037	1.037±0.000	NA	NA	NA
Aniline	1.257	1.257	1.257±0.000	0.212	-0.673	0.8
Acetanilide	1.283	1.284	1.284±0.001	0.238	-0.624	0.9
Nitrobenzene	1.639	1.636	1.638±0.002	0.579	-0.237	1.8
Benzene	2.090	2.090	2.090±0.000	1.015	0.007	2.4
Ethylbenzene	3.796	3.792	3.794±0.003	2.659	0.425	3.4
Phenanthrene	6.698	6.704	6.701±0.004	5.462	0.737	4.3

Table 2:

Test chemical		k	Log k	Log Pow	Mean of Log Pow ± S.D
tR1	1.553	0.498	-0.303	1.680	1.682±0.003
tR2	1.555	0.500	-0.301	1.684

Conclusions:

The Partition coefficient (log Pow) of the test chemical was determined to be 1.682±0.003 at 25°C.

Executive summary:

The Partition Coefficient n-octanol/water (Pow) of test chemical was determined by the Reverse Phase High Performance Liquid Chromatography (RP-HPLC) method according to OECD Guideline No. 117 Adopted: 13 April 2004 for testing of chemicals.

The analysis was performed at constant recommended conditions such as temperature 25°C, mobile phase ratio of methanol: water 75:25 with flow rate of 1 mL/min at 210 nm on CL-2 (Eclipse plus, 4.6*100 mm, 3.5µ) column. Generalized reference substances were selected from the OECD guideline. Selected reference substances and test chemical were prepared in methanol and were analyzed on HPLC considering the similar conditions.

After analyzing on above conditions calibration curve of selected reference substances was prepared to obtain log P_ow value.

The reference substances were Aniline, Acetanilide, Nitrobenzene, Benzene, Ethylbenzene and Phenanthrene having P_ow value ranging from 0.8 to 4.3

The Log P_ow value was determined  to be 1.682±0.003 at 25°C. Thus it can be concluded that the test chemical is hydrophilic in nature 

Description of key information

The Partition coefficient (log Pow) of the test chemical was determined to be 1.682±0.003 at 25°C.

Key value for chemical safety assessment

Log Kow (Log Pow):

1.682

at the temperature of:

25 °C

Additional information

The Partition Coefficient n-octanol/water (Pow) of test chemical was determined by the Reverse Phase High Performance Liquid Chromatography (RP-HPLC) method according to OECD Guideline No. 117 Adopted: 13 April 2004 for testing of chemicals.

The analysis was performed at constant recommended conditions such as temperature 25°C, mobile phase ratio of methanol: water 75:25 with flow rate of 1 mL/min at 210 nm on CL-2 (Eclipse plus, 4.6*100 mm, 3.5µ) column. Generalized reference substances were selected from the OECD guideline. Selected reference substances and test chemical were prepared in methanol and were analyzed on HPLC considering the similar conditions.

After analyzing on above conditions calibration curve of selected reference substances was prepared to obtain log P_ow value.

The reference substances were Aniline, Acetanilide, Nitrobenzene, Benzene, Ethylbenzene and Phenanthrene having P_ow value ranging from 0.8 to 4.3

The Log P_ow value was determined  to be 1.682±0.003 at 25°C. Thus it can be concluded that the test chemical is hydrophilic in nature