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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:
2012-07-18 to 2012-08-24
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
GLP compliance:
no
Type of method:
column elution method
Key result
Water solubility:
0.028 mg/L
Conc. based on:
test mat.
Incubation duration:
71 h
Temp.:
20 °C
pH:
6
Details on results:
The water solubility of the test item at a temperature of 20 °C was determined to 0.028 mg/L.

Preliminary Visual Estimation of the Water Solubility

 

Different amounts of the test item and water were stirred at room temperature until the mixtures appeared dissolved or the water solubility could be estimated to be below 10 mg/L.

Appearance of the test mixtures

Amount of the test item in mg

Total volume in mL

Appearance of mixture

9.9

100

undissolved

8.7

500

undissolved

4.6

500

undissolved

 

Concentration and pH

According to the guideline, the data of the fractions 1 to 5 were not taken into account for the following evaluation. The values for the water solubility were calculated from fractions 37 to 41 for column 1, from the fractions 79 to 83 for column 2 and from the fractions 40 to 44 for column 3. 

 

Column 1

Fraction
no.

V
in mL

PH

water solubility
in µg/L

37

18.1

5.9

22.66

38

18.1

5.9

23.43

39

18.1

5.7

24.52

40

18.1

5.4

23.90

41

18.1

5.6

22.17

According to the guideline the run can be stopped if the concentrations of five fractions do not differ more than ± 30 % without any increasing or descending tendency.

Result column 1:

Evaluation of the fractions 37 to 41

The water solubility was found to be 0.023 mg/L (without correction of the purity)

 

Column 2

Fraction
no.

V
in mL

PH

water solubility
in µg/L

79

17.6

5.9

32.91

80

17.6

5.8

32.86

81

17.6

6.0

33.28

82

17.6

6.0

33.27

83

17.6

5.7

33.49

 

According to the guideline the run can be stopped if the concentrations of five fractions do not differ more than±30 % without any increasing or descending tendency.

Result column 2:

Evaluation of the fractions 79 to 83

The water solubility was found to be 0.033 mg/L (without correction of the purity)

 

Concentrations of standards for recheck

The recovery of the recheck samples was between 96.6 % and 104.0 % indicating a sufficient accuracy of the analytical method. 

The water solubility of the test item at a temperature of 20 °C was determined to 0.028 mg/L.

Conclusions:
The water solubility of the test item at a temperature of 20 °C was determined to 0.028 mg/L.
Executive summary:

The water solubility was determined according to OECD 105 using the column elution method with HPLC analysis (reference 4.8 -1). Therefore, two identical columns were prepared; one of them was exposed to a flow rate of about 12.5 mL/h (column 1), the other one to 25.0 mL/h (column 2). Another experiment was performed according to this procedure (flow rate 25.0 mL/h) but without test item ("blank" = column 3). The concentration of test item was determined by means of HPLC. Therefore the aqueous fractions were diluted from 0.75 mL to 1 mL with acetonitrile. The volumes of all fractions were measured. For the analysed fractions the pH values and the temperatures were measured, too. For column 1 the fractions 37 to 41 were evaluated. The water solubility was found to be 0.023 mg/L For column 2 the fractions 79 to 83 were evaluated. The water solubility was found to be 0.033 mg/L. The recovery of the recheck samples was between 96.6% and 104.0% indicating a sufficient accuracy of the analytical method. The water solubility at a temperature of 20 °C was determined to be 0.028 mg/L. 

Description of key information

The water solubility of the test item at a temperature of 20 °C was determined to 0.028 mg/L.

Key value for chemical safety assessment

Water solubility:
0.028 mg/L
at the temperature of:
20 °C

Additional information

The water solubility was determined according to OECD 105 using the column elution method with HPLC analysis (reference 4.8 -1). Therefore, two identical columns were prepared; one of them was exposed to a flow rate of about 12.5 mL/h (column 1), the other one to 25.0 mL/h (column 2). Another experiment was performed according to this procedure (flow rate 25.0 mL/h) but without test item ("blank" = column 3). The concentration of test item was determined by means of HPLC. Therefore the aqueous fractions were diluted from 0.75 mL to 1 mL with acetonitrile. The volumes of all fractions were measured. For the analysed fractions the pH values and the temperatures were measured, too. For column 1 the fractions 37 to 41 were evaluated. The water solubility was found to be 0.023 mg/L For column 2 the fractions 79 to 83 were evaluated. The water solubility was found to be 0.033 mg/L. The recovery of the recheck samples was between 96.6% and 104.0% indicating a sufficient accuracy of the analytical method. The water solubility at a temperature of 20 °C was determined to be 0.028 mg/L.