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Physical & Chemical properties

Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
1995
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
flask method
Key result
Water solubility:
> 500 g/L
Conc. based on:
test mat.
Incubation duration:
3 h
Temp.:
20 °C
pH:
1.4

Table 1: Preliminary test sample observations

Sample

Mass of test item (g)

Mass of purified water (g)

Actual test concentration (% w/w)

Observations

Solution pH

1

0.2526

4.7634

5.04

A clear, extremely pale yellow coloured, homogeneous, single phase, non-viscous solution, free from undissolved test item. A faint Tyndall beam was observed in the solution.

1.9

2

0.5040

5.4350

10.0

A clear, pale yellow coloured, homogeneous, single phase, non-viscous solution, free from undissolved test item. A Tyndall beam was observed in the solution.

1.7

3

1.2619

3.7577

25.1

A clear, pale yellow coloured, homogeneous, single phase, non-viscous solution, free from undissolved test item. A Tyndall beam was observed in the solution.

1.6

4

2.5071

2.5095

50.0

A clear, pale brown coloured, homogeneous, single phase, non-viscous solution, free from undissolved test item. A Tyndall beam was observed in the solution.

1.5

5

3.7560

1.2669

74.8

A pale brown coloured solution, containing undissolved test item.

1.5

6

4.7517

0.2661

94.7

No liquid phase / solution observed. All water added has been absorbed by the solid test item.

 

Conclusions:
The water solubility of the substance was determined to be greater than 500 g/L at 20 ± 0.5 °C at a pH value of 1.4. Due to the presence of an acidic functional group, the solubility in water at pH values greater than 1.4 would also exceed 500 g/L.
Executive summary:

The water solubility of the substance was studied under GLP in accordance with OECD TG 105, using the flask method. A series of sample solutions was prepared by dissolving weighed amounts of test substance in weighed amounts of purified water.

Samples that were immediately soluble were placed in a thermostatically controlled waterbath set at the test temperature of 20 ± 0.5 °C for at least 1.25 hours, before the recording of visual observations of dissolution. All other samples were mechanically shaken at 30 °C for 24 hours, before being placed in a thermostatically controlled waterbath set at the test temperature of 20 ± 0.5 °C for ca. 2 hours, prior to recording visual observations of dissolution.The results of the preliminary test showed that the solubility of the substance was in the range of 50 to 74.8% w/w at 20 °C. In a definitive test, a substance aliquot of 5.2205 g was diluted to a total volume of 10 mL using purified water. The sample was then shaken by hand to mix before placing in a thermostatically controlled waterbath set at the test temperature of 20 ± 0.5 °C. After an equlibration period of 3 hours, the sample was removed and visually observed for dissolution. The pH value of the sample solution was recorded.

Description of key information

Water solubility >500 g/L at 20 °C and pH of 1.4 (GLP, OECD TG 105, flask method)

Key value for chemical safety assessment

Additional information