4-methylbenzyl alcohol

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2017-07-05 to 2017-07-08

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

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

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

1.67

Temp.:

20 °C

pH:

7.534

Details on results:

The HPLC void time (t0) was determined by Thiourea, which had a retention time of 1.493 min. The slope, Y-intercept and correlation coefficient for the first and second calibration of the reference were calculated. The correlation coefficient r for both calibrations was 0.9896.
Two individual log Pow of the test item values were derived under consideration of the first and second calibration. Finally, a mean value was calculated from these individual log Pow values. Based on these data (details see Table below) a mean log Pow value of 1.67 was derived.

Calibration Data of the Reference Items

Reference Item	Log Pow	1st Run		2nd Run		3rdRun		Average
		Retention time [min]	Log k	Retention time [min]	Log k	Retention time [min]	Log k	Log k
4-Acetylpyridine	0.5	1.980	-0.4795	1.987	-0.4803	1.980	-0.4795	-0.4798
Benzonitrile	1.6	3.307	0.0878	3.313	0.0860	3.313	0.0892	0.0877
Anisole	2.1	6.380	0.5173	6.387	0.5156	6.387	0.5179	0.5169
Toluene	2.7	12.267	0.8603	12.287	0.8591	12.300	0.8616	0.8604
Bromobenzene	3.0	14.860	0.9539	14.887	0.9529	14.907	0.9554	0.9541
1,2,4-Trichlorobenzene	4.2	51.967	1.5308	52.120	1.5303	52.233	1.5331	1.5314

k : Capacity factor reference item

log POW : Partition Coefficient (n-octanol / water)

Retention Times, Capacity Factors and Partition Coefficients of the test item

Test item		Retention time [min]	Log k	Log Pow	Mean	Overall Mean
Solution 1	1st run	3.853	0.1989	1.666	1.67	1.67±0.00
	2nd run	3.860	0.2001	1.668
Solution 2	1st run	3.860	0.2001	1.668	1.67
	2nd run	3.853	0.2017	1.671

Conclusions:

The log Pow value of the test item was found to be 1.67 at 20 °C.

Executive summary:

The partition coefficient log Pow of the test item was determined using the HPLC method according to OECD 117 (2004). The log Pow value of the test item was found to be 1.67 at 20 °C.

Description of key information

The log Pow value was determined to be 1.67 at 20 °C according to OECD 117.

Key value for chemical safety assessment

Log Kow (Log Pow):

1.67

at the temperature of:

20 °C

Additional information

The partition coefficient log Pow of the test item was determined using the HPLC method according to OECD 117 (2004). The log Pow value of the test item was found to be 1.67 at 20 °C.