α,α,α-trifluorotoluene

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 2018-11-12 to 2018-11-20

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

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - HPLC Method)

Version / remarks:

EU Method A.24

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)

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:

3.01

Temp.:

20 °C

pH:

ca. 10

Type:

Pow

Partition coefficient:

1 031

Temp.:

20 °C

pH:

ca. 10

Details on results:

In the course of the study the partition coefficient (Pow) of the test item was determined using high performance liquid chromatography.
The determined log Pow: 3.01 ± 0.001 (95 % confidence interval).
The estimated Pow: 1031 ± 3.10 (95 % confidence interval).

Table 1.: Measured and calculated data of the test item

Test Item name	Retention time (min)	log k	log Pow	Pow	Repeatability log unit
		Calculated
Test Item	11.52	0.539	3.01	1035	0.002
	11.52	0.539	3.01	1035
	11.50	0.538	3.01	1029
	11.50	0.538	3.01	1029
	11.50	0.538	3.01	1029
	11.50	0.538	3.01	1029
Mean	11.51	0.538	3.01	1031	-
Conf.int. (95 %)	0.01	-	0.001	3.10	-
CV%	0.09	-	-	-	-

 

Conclusions:

The partition coefficient logPow of the test item was determined to be 3.01 at 20 °C.

Executive summary:

A study was conducted in accordance with OECD TG 117 and Regulation (EC) No 2016/266 method A.24 to determine the partition coefficient of the test item using the HPLC method. A solution of the test substance was prepared in acetonitrile - 10 µg/mL. After equilibration of the HPLC system, three series of the reference solutions and then three series of the test item solution were measured with two parallel injections each. The retention times were determined. The three calibration series and three test item series were measured alternately. Retention times tR were measured and averaged and the decimal logarithms of the capacity factors k were calculated. The linear regression parameters of the relationship log Pow = f(log k) were also calculated from the data obtained with the calibration mixture and, therewith, log Pow of the test substance was determined from its measured capacity factor. The value found for the partition coefficient n-octanol/water is 3.01 at 20 °C.

Description of key information

The partition coefficient logPow of the test item was determined to be 3.01 at 20 °C.

Key value for chemical safety assessment

Log Kow (Log Pow):

3.01

at the temperature of:

20 °C

Additional information

A study (reference 4.7-1) was conducted in accordance with OECD TG 117 and Regulation (EC) No 2016/266 method A.24 to determine the partition coefficient of the test item using the HPLC method. A solution of the test substance was prepared in acetonitrile - 10 µg/mL. After equilibration of the HPLC system, three series of the reference solutions and then three series of the test item solution were measured with two parallel injections each. The retention times were determined. The three calibration series and three test item series were measured alternately. Retention times tR were measured and averaged and the decimal logarithms of the capacity factors k were calculated. The linear regression parameters of the relationship log Pow = f(log k) were also calculated from the data obtained with the calibration mixture and, therewith, log Pow of the test substance was determined from its measured capacity factor. The value found for the partition coefficient n-octanol/water is 3.01 at 20 °C.