(4R)-2-oxo-1,3-oxazolidine-4-carboxylic acid

Water solubility

Link to relevant study record(s)

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

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

1995

Deviations:

no

GLP compliance:

yes (incl. QA statement)

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)