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Water solubility

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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

% Difference1,2

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 Mean1,2=

SD1,2=

CV1,2=

N2=

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

Additional information