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Physical & Chemical properties

Water solubility

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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:
EU Method A.6 (Water Solubility)
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7840 (Water Solubility)
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Key result
Water solubility:
124 g/L
Conc. based on:
test mat.
Incubation duration:
18 h
Temp.:
20 °C
pH:
7.1
Water solubility:
2.4 g/L
Conc. based on:
test mat.
Incubation duration:
24 - 72 h
Temp.:
20 °C
pH:
9.6
Details on results:
As the relevant pH for the environment is considered to be 5 to 9, the water solubility at pH7 is the relevant one. Furthermore, it can be considered as a worst case.

Solubility of the test item in water at different time intervals

   A  B  C
 test item [mg]  112.6  125.9  117.5
 Stirring time at 30 °C [h]  24  48  72
 pH at room temperature  9.90  9.61  9.32
 water solubility [g/L]  2.26  2.38  2.64

Solubility at pH7: Experimental details

   A  B
 test item [mg]  2018.4  2090.1
 Stirrint time at 20 °C [h] after constant pH-value was achieved  18  18
 pH of the saturated solution  7.14  7.13
Conclusions:
The water solubility of the test item was 124 g/L at 20 °C at pH 7.
Executive summary:

The water solubility of the test item in double distilled water and at pH 7 was determined according to the "flask method" described in the European Commission Council Regulation (EC) No 440/2008, Annex, Part A, method A.6., OECD

Guideline 105 and US EPA Product Properties Test Guideline OCSPP 830.7840.

Water Solubility at pH 7: Test Procedure

Due to the fact that the pre-test at buffered pH 7 showed that the buffer capacity was not sufficient a modified flask method was applied.

5 ml of buffer pH 7 were added to an amount of the test item. The pH-values were checked. Amounts of phosphoric acid solution (c = 1.0 mol/L) were added until the target pH-value was achieved. Meanwhile, to ensure the saturation of the solution a further amount of the test item was added to both experiments.

Then the samples were stirred for 18 hours at 20°C and the pH-value was checked again after this equilibration phase. Aliquots of the saturated aqueous phases were centrifuged (15 min, 3000 rpm).

The concentration of the test item was determined by HPLC.

According to guidance document R.7a the environmentally-relevant pH is 5 to 9, thus the water solubility at pH7 is the relevant one. Furthermore, it can be considered as a worst case.

The water solubility of the test item was 124 g/L at 20 °C at pH 7.

Description of key information

The water solubility of the test item in double distilled water and at pH 7 was determined according to the "flask method" described in the European Commission Council Regulation (EC) No 440/2008, Annex, Part A, method A.6., OECD

Guideline 105 and US EPA Product Properties Test Guideline OCSPP 830.7840.

Water Solubility at pH 7: Test Procedure

Due to the fact that the pre-test at buffered pH 7 showed that the buffer capacity was not sufficient a modified flask method was applied.

5 ml of buffer pH 7 were added to an amount of the test item. The pH-values were checked. Amounts of phosphoric acid solution (c = 1.0 mol/L) were added until the target pH-value was achieved. Meanwhile, to ensure the saturation of the solution a further amount of the test item was added to both experiments.

Then the samples were stirred for 18 hours at 20°C and the pH-value was checked again after this equilibration phase. Aliquots of the saturated aqueous phases were centrifuged (15 min, 3000 rpm).

The concentration of the test item was determined by HPLC.

According to guidance document R.7a the environmentally-relevant pH is 5 to 9, thus the water solubility at pH7 is the relevant one. Furthermore, it can be considered as a worst case.

The water solubility of the test item was 124 g/L at 20 °C at pH 7.

Key value for chemical safety assessment

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

Additional information