Bis[(3,4-epoxycyclohexyl)methyl] adipate

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

06 September 2017 to 11 December 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

1995

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

column elution method

Key result

Water solubility:

< 2 mg/L

Conc. based on:

test mat.

Temp.:

20 °C

pH:

>= 6.52 - <= 7.88

Details on results:

PRELIMINARY TEST
- The solubility of the test material in water at room temperature was estimated to be < 9.54 mg/L. Therefore, the column elution method was performed.
- The observations of the preliminary test are summarised in Table 1.

MAIN TEST
- The mean value and its standard deviation from five consecutive samples taken from the saturation plateau, each measured twice, were calculated for each run. The mean concentrations calculated on two tests using different flows were compared and the repeatability was calculated, which should be better than 30 %.
- The first, second and third column showed no signal of the test material. Only the negative injection signal of water could be observed.
- In the fractions of two columns with different flow rates no test material could be detected.
- To verify the accuracy of the analytical method freshly prepared standard solutions (prepared with the test material) were measured in between the samples of the column elution method. The recovery rates should lie between 90 and 110 %. The recovery rate of the measured standard solutions was in the range from 95.8 to 103.4 %, which shows a good accuracy of the analytical method.
- Following the measurements, the amount of the test material in the columns was checked. For this purpose, columns 1 and 2 were each purged with 50 mL acetone. 1 mL of the acetone solutions were diluted to 50 mL with the eluent and measured by HPLC.
- These measurements show, that 29.15 mg of the test material could be found in column 1 after the main test, which corresponds to 83.7 % of the starting amount. 29.32 mg of the test material could be found in column 2 after the main test, which corresponds to 84.2 % of the starting amount. In both columns enough test material could be found after the main tests to ensure correct performance of the test.

Table 1: Preliminary Test for the Water Solubility

Amount of test material [mg]	Total volume of added water [mL]	Stirring time at RT	Remark
106.6	0.1	--	not dissolved
	0.6	--	not dissolved
	1.6	2 min^1)	not dissolved
	3.6	2 min^1)	not dissolved
	13.6	2 min^1)	not dissolved
	100	5 min^1)	not dissolved
9.83	100	approx. 4 days	not dissolved
4.77	250	approx. 4 days	not dissolved
4.92	500	approx. 4 days	not dissolved

¹⁾The mixtures were treated in an ultrasonic bath.

Conclusions:

Under the conditions of this study the water solubility of the test material was < 2.0 mg/L at 20 °C.

Executive summary:

The water solubility of the test material was investigated in accordance with the standardised guidelines OECD 105 and EU Method A.6, under GLP conditions.

The solubility of the test item in water at room temperature was estimated to be < 9.54 mg/L. Therefore, the column elution method was performed. The solutions were analysed using HPLC.

In the fractions of two columns with different flow rates no test material could be detected. To verify the accuracy of the analytical method freshly prepared standard solutions (prepared with the test material) were measured in between the samples of the column elution method. The recovery rates of the measured standard solutions was in the range from 95.8 to 103.4 %, which shows a good accuracy of the analytical method. Following the measurements, the amount of the test material in the columns was checked. For this purpose, columns 1 and 2 were each purged with 50 mL acetone. 1 mL of the acetone solutions were diluted to 50 mL with the eluent and measured by HPLC. These measurements show, that 29.15 mg of the test material could be found in column 1 after the main test, which corresponds to 83.7 % of the starting amount. 29.32 mg of the test material could be found in column 2 after the main test, which corresponds to 84.2 % of the starting amount. In both columns enough test material could be found after the main tests to ensure correct performance of the test.

Under the conditions of this study the water solubility of the test material was < 2.0 mg/L at 20 °C.

Description of key information

The water solubility of the test material was investigated in accordance with the standardised guidelines OECD 105 and EU Method A.6, under GLP conditions. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).

The solubility of the test item in water at room temperature was estimated to be < 9.54 mg/L. Therefore, the column elution method was performed. The solutions were analysed using HPLC.

In the fractions of two columns with different flow rates no test material could be detected. To verify the accuracy of the analytical method freshly prepared standard solutions (prepared with the test material) were measured in between the samples of the column elution method. The recovery rates of the measured standard solutions was in the range from 95.8 to 103.4 %, which shows a good accuracy of the analytical method. Following the measurements, the amount of the test material in the columns was checked. For this purpose, columns 1 and 2 were each purged with 50 mL acetone. 1 mL of the acetone solutions were diluted to 50 mL with the eluent and measured by HPLC. These measurements show, that 29.15 mg of the test material could be found in column 1 after the main test, which corresponds to 83.7 % of the starting amount. 29.32 mg of the test material could be found in column 2 after the main test, which corresponds to 84.2 % of the starting amount. In both columns enough test material could be found after the main tests to ensure correct performance of the test.

Under the conditions of this study, the water solubility of the test material was < 2.0 mg/L at 20 °C.

Key value for chemical safety assessment

Water solubility:

2 mg/L

at the temperature of:

20 °C