5-fluoro-2-methoxypyrimidin-4(3H)-one

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

11 August 2005 to 27 October 2005

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

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

1992

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Key result

Water solubility:

5.49 g/L

Conc. based on:

test mat.

Incubation duration:

96 h

Temp.:

20 °C

pH:

3.9

Details on results:

The test was performed at 20.0 ± 0.5 °C in vessels protected from light. The solubility in water was found to be 5.49 ± 0.16 g/L with a precision of 3 %. In the three replicate solutions prepared, the pH values were found to be 3.86 for Replicate 1, 3.94 for Replicate 2 and 3.91 for Replicate 3. Detailed results are presented in Table 1.
The resulting saturated solutions were acidic and colourless.

Table 1: Water solubility of the test item (flask method at 20.0 ± 0.5 °C)

Replicate number / Sampling time	Water solubility (g/L)
	First dilution	Second dilution	Mean (n = 2)	Mean (n = 6)
3 / T 48 h	5.49	5.58	5.54
2 / T 72 h	5.24	5.39	5.32
1 / T 96 h	5.51	5.71	5.61
				5.49
SD				0.16
CV %				3

Conclusions:

Under the conditions of this study, the solubility of the test material in water was found to be 5.49 ± 0.16 g/L (CV = 3 %) at 20.0 ± 0.5 °C.

Executive summary:

The water solubility of the test material was determined in accordance with the standardised guidelines OECD 105 and EU Method A.6 under GLP conditions.

The water solubility of the test material was first evaluated in a preliminary test indicating a solubility value above 10 mg/L. The final determination of water solubility was therefore undertaken using the flask method.

Aliquots (approx. 4.99 g) of the test material were mixed with approximately 100 mL of Milli-Q water in a bottle flask protected from light. The solutions were agitated in a water bath at 30 °C using a magnetic stirrer. After 24 hours (Replicate 3), 48 hours (Replicate 2) and 72 hours (Replicate 1), in an attempt to achieve a saturation mass concentration, replicates were cooled to 20.0 ± 0.5 °C in a water bath for 24 hours. Solutions were analysed sing HPLC with UV detection. For each replicate, pH values of the solutions were measured on a sample of saturated solution. The resulting saturated solutions were acidic and colourless.

Under the conditions of this study, the solubility of the test material in water was found to be 5.49 ± 0.16 g/L (CV = 3 %) at 20.0 ± 0.5 °C.

Description of key information

Under the conditions of this study, the solubility of the test material in water was found to be 5.49 ± 0.16 g/L (CV = 3 %) at 20.0 ± 0.5 °C.

Key value for chemical safety assessment

Water solubility:

5.49 g/L

at the temperature of:

20 °C

Additional information

The water solubility of the test material was determined in accordance with the standardised guidelines OECD 105 and EU Method A.6 under GLP conditions. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).

The water solubility of the test material was first evaluated in a preliminary test indicating a solubility value above 10 mg/L. The final determination of water solubility was therefore undertaken using the flask method.

Aliquots (approx. 4.99 g) of the test material were mixed with approximately 100 mL of Milli-Q water in a bottle flask protected from light. The solutions were agitated in a water bath at 30 °C using a magnetic stirrer. After 24 hours (Replicate 3), 48 hours (Replicate 2) and 72 hours (Replicate 1), in an attempt to achieve a saturation mass concentration, replicates were cooled to 20.0 ± 0.5 °C in a water bath for 24 hours. Solutions were analysed sing HPLC with UV detection. For each replicate, pH values of the solutions were measured on a sample of saturated solution. The resulting saturated solutions were acidic and colourless.

Under the conditions of this study, the solubility of the test material in water was found to be 5.49 ± 0.16 g/L (CV = 3 %) at 20.0 ± 0.5 °C.