Reaction mass of butane-1,3-diyl diacrylate and 1,3 butanediol diacrylate adduct with 1,3 butanediol monoacrylate

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2017-05-03 to 2017-08-01

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:

EPA OPPTS 830.7840 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Key result

Water solubility:

3.4 g/L

Conc. based on:

test mat.

Temp.:

20 °C

pH:

8.63 - 8.65

RESULTS AND DISCUSSION

The water solubility of the test substance was estimated from a preliminary trial that consisted of weighing out a small aliquot of the test substance and adding progressive volumes of reagent water, followed by a period of shaking, until the sample was completely dissolved. The test substance solubility under the test condition was approximately 1.00 mg/mL. Based on this finding, the target nominal concentration in the definitive test was set at a concentration of 5.00 mg/mL.

The pH of the test system and samples was evaluated concurrent with the definitive solubility test. The pH of the test system (reagent) water at 20°C was 8.50. The measured pH of the supernatant of reagent water saturated with the test substance at 20°C was 8.63 for the 24-hour samples and 8.65 for the 48-hour samples.

Mean measured water-soluble test substance concentrations for saturation samples shaken and equilibrated at 30°C for 24 and 48 hours prior to 24-hour equilibration at 20°C were well within the 15% difference criterion described in the protocol (2.8%). The mean water solubility (N = 4) for 1,3-Butylene Glycol Diacrylate at 20°C was 3.40 mg/mL ± 0.058 mg/mL (CV = 1.7%) (Table 3).

Table 3 Definitive Water Solubility of 1,3-Butylene Glycol Diacrylate (CAS# 19485-03-1) at 20ºC

Sample ID (524C-140-)	Time at 30°C (hrs)	Concentration of 1,3-Butylene Glycol Diacrylate				% Difference^1,2
		Nominal (mg/mL)		Measured (mg/mL)^1,2	Mean Measured ± SD (mg/mL)^1,2
1-1 1-2   2-1 2-2	24 24   48 48	5.00 5.00   5.00 5.00	3.33 3.37   3.43 3.46		3.35 ± 0.025 (CV = 0.75%)   3.45 ± 0.025 (CV = 0.73)	2.8%
Overall Mean^1,2= SD^1,2= CV^1,2= N^2=			3.40 0.058 1.7% 4
^1   Results were generated using Microsoft^®Excel 2010 in full precision mode. Manual calculations may differ slightly. ^2   SD = Standard Deviation     CV = Coefficient of Variation.     N = Number of Measurements     % Difference = Percent difference of mean measured concentrations from the two flow rate settings:                 = (absolute value of the difference of means¸average of means) x 100.

Executive summary:

The water solubility of the test substance in reagent water at 20ºC was determined using the shake flask method. The overall mean water

solubility for 1,3-Butylene Glycol Diacrylate (CAS# 19485-03-1) at 20.0 ± 0.1°C was determined to be 3.40 mg/mL ± 0.058 mg/mL (N =

4; CV = 1.7%).

Description of key information

The water solubility of 1,3-BUTYLENE GLYCOL DIACRYLATE (CAS #19485-03-1) at 20°C was determined in an experimental study performed in accordance with the OECD 105 and OPPTS 830.7840 test guidelines and GLP requirements.

The water solubility was determined to be 3.40 g/L.

Key value for chemical safety assessment

Water solubility:

3.4 g/L

at the temperature of:

20 °C