Reaction mass of 2-dodecylhexadecyl methacrylate and 2-Tetradecyloctadecyl methacrylate

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

30 April 2019 - 07 June 2019

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

GLP compliance:

no

Type of method:

flask method

Specific details on test material used for the study:

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Room temperature in the dark

Water solubility:

0.04 mg/L

Conc. based on:

test mat. (dissolved fraction)

Incubation duration:

72 h

Temp.:

30 °C

pH:

5.6

Remarks on result:

other:

Remarks:

Sample Number:1

Water solubility:

0.005 mg/L

Conc. based on:

test mat. (dissolved fraction)

Incubation duration:

48 h

Temp.:

30 °C

pH:

5.6

Remarks on result:

other: Sample Number:2

Water solubility:

0.017 mg/L

Conc. based on:

test mat. (dissolved fraction)

Incubation duration:

24 h

Temp.:

30 °C

pH:

5.6

Remarks on result:

other:

Remarks:

Sample Number:3

Key result

Water solubility:

< 0.05 mg/L

Conc. based on:

test mat. (dissolved fraction)

Temp.:

20 °C

pH:

5.6

Details on results:

Preliminary Test: The preliminary estimate of the water solubility at 20.0 ± 0.5 °C was 4.81 x 10-3 mg/L. The solution had a pH of 6.0.

The mean peak area ratios relating to the standard and sample solutions are shown in the following table:

Solution	Mean Peak Area Ratio
Standard 1.05 mg/L	1.1472
Standard 1.01 mg/L	1.1404
Matrix blank	none detected
Sample 1A	2.7796
Sample 1B	1.7190
Sample 2A	0.28533
Sample 2B	0.27001
Sample 3A	1.1109
Sample 3B	0.76181

The concentration (mg/L) of test item in the sample solutions is shown in the following table:

Sample Number	Time Shaken at ~ 30 ºC (hours)	Concentration (mg/L)	Solution pH
1	72	4.04 x 10-2	5.6
2	48	4.99 x 10-3	5.6
3	24	1.68 x 10-2	5.6

Overall concentration: less than 5 x 10-2 mg/L at 20.0 ± 0.5 ºC. Based on the chemical structure, it was considered that the test item may have formed a microdispersion that was not completely removed by centrifugation and which caused the sample variability.

Conclusions:

The water solubility of Reaction Mass of 2-Propenoic acid, 2-methyl-, 2- dodecylhexadecyl ester and 2-Propenoic acid, 2-methyl-, 2-tetradecyloctadecyl ester was determined to be less than 5 x 10-2 mg/L of solution at 20.0 ± 0.5 °C.

Executive summary:

The water solubility of Reaction Mass of 2-propenoic acid, 2-methyl-, 2 dodecylhexadecyl ester and 2-propenoic acid, 2methyl-, 2-tetradecyloctadecyl ester was determined by the flask method, using a procedure designed to be compatible with Method A.6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995. A preliminary test was performed in order to select the appropriate method and to determine the approximate amount of test item to be used in the definitive test. Based on the preliminary result of the water solubility at 20.0 ± 0.5 °C being 4.81 x 10-3 mg/L, with a solution pH of 6.0. mixtures of test item (0.10g) and purified water (500ml) were added to three separate flasks and shaken at 30 ºC for 24, 48 and 72 hours respectively. On completion of the equilibration period, the samples were clear and colourless with excess test item present. As the water solubility for the test item had been expected to be low, the samples were shaken at only 100 rpm to minimise the formation of a dispersion. After centrifugation, the supernatant was taken for analysis. The supernatant was visually observed to be clear, colourless and free from visible un-dissolved test item. Results showed an overall concentration of less than 5 x 10^-2 mg/L at 20.0 ± 0.5 ºC. Sample 1: 4.04 x 10^-2mg/L, Sample 2: 4.99 x 10^-3, Sample 3: 1.68 x 10^-2. Therefore, the water solubility of Reaction Mass of 2-Propenoic acid, 2-methyl-, 2- dodecylhexadecyl ester and 2-Propenoic acid, 2-methyl-, 2-tetradecyloctadecyl ester was determined to be less than 5 x 10^-2 mg/L of solution at 20.0 ± 0.5 °C.

Description of key information

The water solubility of Reaction Mass of 2-propenoic acid, 2-methyl-, 2 dodecylhexadecyl ester and 2-propenoic acid, 2methyl-, 2-tetradecyloctadecyl ester was determined by the flask method, using a procedure designed to be compatible with Method A.6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995. Results showed an overall concentration of less than 5 x 10-2 mg/L at 20.0 ± 0.5 ºC, this result was taken as a limit value based on the highest sample result to be a worst-case scenario.

Key value for chemical safety assessment

Water solubility:

0.05 mg/L

at the temperature of:

20 °C

Additional information

The water solubility of Reaction Mass of 2-propenoic acid, 2-methyl-, 2 dodecylhexadecyl ester and 2-propenoic acid, 2methyl-, 2-tetradecyloctadecyl ester was determined by the flask method, using a procedure designed to be compatible with Method A.6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995. A preliminary test was performed in order to select the appropriate method and to determine the approximate amount of test item to be used in the definitive test. Based on the preliminary result of the water solubility at 20.0 ± 0.5 °C being 4.81 x 10-3 mg/L, with a solution pH of 6.0. mixtures of test item (0.10g) and purified water (500ml) were added to three separate flasks and shaken at 30 ºC for 24, 48 and 72 hours respectively. On completion of the equilibration period, the samples were clear and colourless with excess test item present. As the water solubility for the test item had been expected to be low, the samples were shaken at only 100 rpm to minimise the formation of a dispersion. After centrifugation, the supernatant was taken for analysis. The supernatant was visually observed to be clear, colourless and free from visible un-dissolved test item. Results showed an overall concentration of less than 5 x 10^-2 mg/L at 20.0 ± 0.5 ºC. Sample 1: 4.04 x 10^-2mg/L, Sample 2: 4.99 x 10^-3, Sample 3: 1.68 x 10^-2. Therefore, the water solubility of Reaction Mass of 2-Propenoic acid, 2-methyl-, 2- dodecylhexadecyl ester and 2-Propenoic acid, 2-methyl-, 2-tetradecyloctadecyl ester was determined to be less than 5 x 10^-2 mg/L of solution at 20.0 ± 0.5 °C.