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EC number: 601-147-9 | CAS number: 111988-49-9
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 7-15 Nov 2012
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7840 (Water Solubility)
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Hess. Ministerium fur Umwelt, ländlichen Raum und Verbraucherschutz, Wiesbaden, Germany
- Type of method:
- flask method
- Water solubility:
- 159 mg/L
- Temp.:
- 20 °C
- pH:
- 6.5
- Conclusions:
- The water solubility of the test item in distilled water was determined to be 13.5 mg/L at 20 °C (pH 5.6) according to OECD 105.
Reference
Preliminary estimation:
Increasing amounts of distilled water were added stepwise to approx. 100 mg of the test item. In a total volume of 100 mL the test item (11.0 mg) was completely dissolved. Thus the solubility of the test item in distilled water was between 100 mg/L and 1 g/L. Therefore the solubility had to be determined by the "flask method".
Pre-test according to the flask method:
13.5 mg were stirred in 10 mL of distilled water at 20°C (24 h). An aliquot of the saturated aqueous phase was centrifuged (15 min at 3000 rpm). A 1 mL aliquot from the clear supernatant was diluted with acetonitrile/water 50/50 (v/v) to a volume of 20 mL. The concentration of the test item was determined by HPLC analysis.
Result: 176 mg/L at pH 6.01
Main test:
A portion of 10 mL of distilled water was added to each of three weighed amounts of the test item and the resulting mixtures stirred at 30 °C for different time intervals. After equilibration (24 h at 20°C) aliquots of the saturated aqueous phase were centrifuged (15 min, 3000 rpm). A 1.0 mL aliquot from each of the clear supernatants was diluted with acetonitrile/water 50/50 (v/v) to a volume of 20 mL. The concentration of the test item was determined by HPLC.
Experiment |
A |
B |
C |
D (blank) |
Test item (mg) |
11.1 |
11.8 |
11.0 |
- |
Stirring time at 30 °C (h) |
24 |
48 |
72 |
72 |
pH at room temperature |
6.48 |
6.41 |
6.56 |
7.04 |
Water solubility (mg/L) |
169.7 |
161.1 |
145.2 |
- |
Mean solubility at 20 °C: 159 mg/L, RSD 7.8%, final pH 6.5,
Description of key information
159 mg/L at 20 °C, pH 6.5
Key value for chemical safety assessment
- Water solubility:
- 159 mg/L
- at the temperature of:
- 20 °C
Additional information
The water solubility of the substance was determined according to OECD 105, EU A.6 and EPA OPPTS 830.7840 (flask method).
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