α,α,α-trifluorotoluene

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

from 2018-12-12 to 2019-01-03

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Key result

Water solubility:

0.151 g/L

Conc. based on:

test mat.

Incubation duration:

>= 24 - <= 72 h

Temp.:

20 °C

pH:

>= 10.02 - <= 10.09

Preliminary Test

The water solubility of the test item was estimated to be 0.227 g/L in a preliminary test and therefore the shake-flask method was used in the main test.

Main Test

In the main test the water solubility of the test item was determined to be 0.151 ± 0.016 g/L (95 % confidence interval) at 20 ± 0.5 °C.

Table 1. Results of the determination of water solubility of the test item

Sampling time	Measured concentration of Test Item (g/L)		Measured pH
	Test vessels	Mean
After 24h	0.149	0.156	10.08
	0.166		10.08
	0.154		10.09
After 48h	0.157	0.154	10.03
	0.154		10.03
	0.151		10.02
After 72h	0.136	0.144	10.02
	0.150		10.03
	0.146		10.02
Solubility ofthe test item (g/L):		0.151 ± 0.016	-
RSD%:		4.3	-

 

Conclusions:

The water solubility of the test item was determined to be 0.151 g/L at 20 °C.

Executive summary:

The water solubility was determined according to OECD 105, Regulation (EC) No. 440/2008 method A.6 and OPPTS 830.7840 using the shake flask method with HPLC analysis. About 57 mg test item were weighed into 100 mL stoppered Erlenmeyer flasks (nine parallels) according to the estimated solubility based on the Preliminary Test. After the addition of 50 mL ultra-pure water, the flasks were agitated at 30 °C. After one day, three of the vessels were removed and re-equilibrated at 20 °C for 24 hours. The content of the vessel was then centrifuged at 20 °C and the concentration in the clear aqueous phase was determined by HPLC. The other flasks were treated similarly after initial equilibration at 30 °C for two and three days, respectively. The samples were diluted with mobile phase before the analysis. The pH of each sample was recorded. The water solubility of the test substance was determined to be 0.151 ± 0.016 g/L (95 % confidence interval) at 20 ± 0.5 °C (pH = 10).

Description of key information

The water solubility of the test item was determined to be 0.151 g/L at 20 °C using the shake-flask method.

Key value for chemical safety assessment

Water solubility:

0.151 g/L

at the temperature of:

20 °C

Additional information

The water solubility was determined according to OECD 105, Regulation (EC) No. 440/2008 method A.6 and OPPTS 830.7840 using the shake flask method with HPLC analysis (reference 4.8-1). About 57 mg test item were weighed into 100 mL stoppered Erlenmeyer flasks (nine parallels) according to the estimated solubility based on the Preliminary Test. After the addition of 50 mL ultra-pure water, the flasks were agitated at 30 °C. After one day, three of the vessels were removed and re-equilibrated at 20 °C for 24 hours. The content of the vessel was then centrifuged at 20 °C and the concentration in the clear aqueous phase was determined by HPLC. The other flasks were treated similarly after initial equilibration at 30 °C for two and three days, respectively. The samples were diluted with mobile phase before the analysis. The pH of each sample was recorded. The water solubility of the test substance was determined to be 0.151 ± 0.016 g/L (95 % confidence interval) at 20 ± 0.5 °C (pH = 10).