2,4,6-trimethylpyridine

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

from 2020-05-28 to 2020-06-20

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)

Version / remarks:

1996

Deviations:

no

Qualifier:

according to guideline

Guideline:

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

Version / remarks:

1995

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - Shake Flask Method)

Version / remarks:

2008

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Type:

log Pow

Partition coefficient:

-0.43

Temp.:

20 °C

pH:

5

Key result

Type:

log Pow

Partition coefficient:

1.25

Temp.:

20 °C

pH:

7

Type:

log Pow

Partition coefficient:

1.98

Temp.:

20 °C

pH:

9

Results for the determination of the log Pow – pH 5

Sample Description	Amount of test item – measured / mg	Amount of test item – nominal / mg	% of nominal	C(n-octanol)/c(water)	Log Pow
1	23	21	110	0.3340	-0.48
2	23	21	106	0.3532	-0.45
3	14	14	103	0.2962	-0.53
4	15	14	105	0.3015	-0.52
5	29	28	104	0.4505	-0.35
6	32	28	116	0.4795	-0.32
Mean				0.3692	-0.43

 

Results for the determination of the log Pow – pH 7

Sample Description	Amount of test item – measured / mg	Amount of test item – nominal / mg	% of nominal	C(n-octanol)/c(water)	Log Pow
1	22	21	108	17.6069	1.25
2	24	21	113	18.2571	1.26
3	15	13	110	17.9119	1.25
4	12	13	88	13.9161	1.14
5	30	27	110	17.8515	1.25
6	27	27	100	16.4020	1.21
Mean				17.6059	1.25

 

Results for the determination of the log Pow – pH 9

Sample Description	Amount of test item – measured / mg	Amount of test item – nominal / mg	% of nominal	C(n-octanol)/c(water)	Log Pow
1	19	26	75	83.2147	1.92
2	23	26	89	96.9407	1.99
3	14	17	81	88.5388	1.95
4	15	17	89	95.9536	1.98
5	29	33	86	94.5511	1.98
6	33	33	98	107.5317	2.03
Mean				94.4551	1.98

Conclusions:

The log Pow of the test item was determined to be 1.25 at 20 °C and a pH of 7.

Executive summary:

An experimental study was performed to determine the water-octanol partition coefficient according to OECD Guideline 107 and Regulation (EC) No. 440/2008, Method A.8 using the flask method. The concentration of the test item in both phases was determined by HPLC analysis. The log Pow was determined at three different pH values at 20 °C. The log Pow at pH 5 was determined to be -0.43. The log Pow at pH 7 was determined to be 1.25. The log Pow at pH 9 was determined to be 1.98.

Description of key information

The log Pow of the test item was determined to be 1.25 at 20 °C and a pH of 7.

Key value for chemical safety assessment

Log Kow (Log Pow):

1.25

at the temperature of:

20 °C

Additional information

An experimental study was performed to determine the water-octanol partition coefficient according to OECD Guideline 107 and Regulation (EC) No. 440/2008, Method A.8 using the flask method. The concentration of the test item in both phases was determined by HPLC analysis. The log Pow was determined at three different pH values at 20 °C. The log Pow at pH 5 was determined to be -0.43. The log Pow at pH 7 was determined to be 1.25. The log Pow at pH 9 was determined to be 1.98.