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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
Study period:
04 May to 17 August 2012
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results. The study report was conclusive, with experiments conducted according to appropriate and valid guidelines and conducted under GLP conditions.
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
yes
Remarks:
No further details specified
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
Type of method:
flask method
Key result
Water solubility:
28.8 g/L
Temp.:
20 °C
pH:
7.5
Remarks on result:
other: Results after 24 hours of stirring.
Key result
Water solubility:
29 g/L
Temp.:
20 °C
pH:
7.5
Remarks on result:
other: Results after 48 hours of stirring.
Key result
Water solubility:
28.8 g/L
Temp.:
20 °C
pH:
7.5
Remarks on result:
other: Results after 72 hours of stirring.
Key result
Water solubility:
28.9 g/L
Temp.:
20 °C
pH:
7.5
Remarks on result:
other: Mean result.
Details on results:
PRELIMINARY RESULTS
29.6 g/L of the test material was dissolved in the water sample.

MAIN TEST
The maximum difference (MD) of the concentrations determined in the 24, 48 and 72 hour test samples was ≤ 15%. Based on this, the water solubility of the test material is given as the mean value of the analysed concentrations, 28.9 g/L (28900 mg/L).

No test material was detected in the pretreated sample from the blank water mixture.
Conclusions:
Interpretation of results (migrated information): very soluble (> 10000 mg/L)
Under the conditions of the test, the water solubility of the test material was determined to be 28.9 g/L at 20 ºC after 24 to 72 hours of stirring at pH 7.5.
Executive summary:

The water solubility of the test material was determined using the flask method performed in accordance with GLP and to the standardised guidelines OECD 105, EU method A.6 and EPA OPPTS 830.7840.

The water solubility was estimated to be 29.6 g/L in a preliminary study performed to establish an appropriate test method for the main test. As the water solubility was determined to be ≥ 10-2g/L the flask method was chosen as the most appropriate test method. The solubility was measured after 24, 48 and 72 hours of stirring at 20 ºC and pH 7.5. Since the maximum difference of the concentrations determined was ≤ 15%, the water solubility was taken as an average of the analysed concentrations. Concentration analysis was performed by HPLC-UV.

Under the conditions of the test, the water solubility of the test material was determined to be 28.9 g/L.

Description of key information

The water solubility of 3,5-Dimethylpyrazole was determined to be very soluble, 28.9 g/L at 20 ºC, in a key study (Baltussen, 2012) performed according to OECD 105, EU method A.6 and EPA OPPTS 830.7840; all other sources have been provided as supporting data.

Key value for chemical safety assessment

Water solubility:
28.9 g/L
at the temperature of:
20 °C

Additional information

The water solubility of the test material has been addressed by providing one key study and three supporting studies.

Baltussen (2012) has been provided as the key study, where the solubility was determined to be 28.9 g/L at 20 ºC using the flask method. The study was performed in line with GLP and standardised guidelines and had thus been assigned a reliability score of 1 using the principles for assessing data quality as set out in Klimisch (1997).

Three supporting studies have been included, Wacker (2012), WSKOW (2010) and WATERNER (2010). Wacker is an internet source which reports the solubility of the test material to be 31 g/L at 20ºC. WSKOW and WATERNER are predictions made using models within the QSAR EPISuite. The test material was predicted to have a water solubility of 16.5 g/L and 16.857 g/L, respectively. All three reports support the key study all reporting the test material to be very soluble, > 10,000 mg/L. Supporting studies have been assigned a reliability score of 4, according to the principles of Klimisch (1997).