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Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2006-07-24 to 2006-08-14
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Version / remarks:
1992
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
1995
GLP compliance:
yes
Type of method:
column elution method
Key result
Water solubility:
< 0.042 mg/L
Conc. based on:
test mat.
Incubation duration:
72 - 75 h
Temp.:
25 °C
pH:
>= 5.7 - <= 6.9
Details on results:
Preliminary Visual Estimation of the Water Solubility
Increasing water amounts were added stepwise to different amounts of the test item. The preliminary visual experiments showed that the water solubility of the test item is below 10.7 mg/L. Therefore the water solubility had to be determined by the "column elution method".

Column 1:

Rotation period of the fraction accumulator: 90 min per fraction

Average fraction volume: 16.1 mL

Flow rate: between 10.3 mL/h and 11.0 mL/h

Duration of sampling: about 75 h (50 fractions)

Column 2:

Rotation period of the fraction accumulator: 45 min per fraction

Average fraction volume: 15.6 mL

Flow rate: between 20.0 mL/h and 21.3 mL/h

Duration of sampling: about 72 h (96 fractions)

Column 3 (blank):

Rotation period of the fraction accumulator: 45 min per fraction

Average fraction volume: 15.1 mL

Flow rate: between 19.3 mL/h and 21.3 mL/h

Duration of sampling: about 75 h (100 fractions)

Column-elution method: Column 1

Fraction
no.

V
in mL

pH

water solubility
in mg/L

43

16.5

5.7

<0.042

44

16.5

6.1

<0.042

45

16.5

6.4

<0.042

46

16.5

6.2

<0.042

47

16.0

6.2

<0.042

According to the guideline the run can be stopped if the concentrations of five fractions do not differ more than ± 30 % without any raising or descending tendency. The content of test item in every fraction is below the detection limit.

Column-elution method: Column 2

Fraction
no.

V

in mL

pH

concentration
in mg/L

86

16.0

6.9

<0.042

87

16.0

6.7

<0.042

88

16.0

6.2

<0.042

89

16.0

6.5

<0.042

90

16.0

6.5

<0.042

According to the guideline the run can be stopped if the concentrations of five fractions do not differ more than ± 30 % without any raising or descending tendency. The content of test item in every fraction is below the detection limit.

Column-elution method: Column 3 (blank) 

Fraction
no.

V

in mL

pH

concentration
in mg/L

90

14.5

6.4

 

<0.042

91

14.5

6.3

 

<0.042

92

14.5

6.3

 

<0.042

93

14.5

6.3

 

<0.042

94

14.5

6.2

 

<0.042

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 the fractions 43 to 47 for column 1, from the fractions 86 to 90 for column 2, from the fractions 90 to 94 for column 3.

All other fractions were discarded.

Result column 1:

Evaluation of the fractions 43 to 47:

The water solubility was found to be: < 0.042 mg/L (without correction of the purity)

Result column 2:

Evaluation of the fractions 86 to 90:

The water solubility was found to be: < 0.042 mg/L (without correction of the purity)

Result column 3:

Evaluation of the fractions 90 to 94: The blank concentration was found to be < 0.042 mg/L.

The water solubility of the test item at a temperature of 20°C was determined to (without correction for the purity): < 0.042 mg/L

Conclusions:
The water solubility of the test item was determined to be < 0.042 mg/L at 20°C.
Executive summary:

The water solubility was determined according to OECD 105 using the column elution method with HPLC analysis. Two identical samples were prepared, one of them was exposed to a flow rate of 12.5 mL/h (column 1), the other one to 25.0 mL/h (column 2). After measurement of the volume, pH and temperature, the fractions were subjected to HPLC analysis. For the determination of the water solubility it was not necessary to combine or to concentrate the fractions. Another experiment was performed according to this procedure (flow rate 25.0 mL/h) but without test item ("blank" = column 3).

The water solubility of the test item at a temperature of 20°C was determined (without correction for the purity) to be < 0.042 mg/L.

Description of key information

The water solubility of the test item was determined to be < 0.042 mg/L at 20 °C.

Key value for chemical safety assessment

Additional information

The water solubility was determined according to OECD 105 using the column elution method with HPLC analysis.Two identical samples were prepared, one of them was exposed to a flow rate of 12.5 mL/h (column 1), the other one to 25.0 mL/h (column 2). After measurement of the volume, pH and temperature, the fractions were subjected to HPLC analysis. For the determination of the water solubility it was not necessary to combine or to concentrate the fractions. Another experiment was performed according to this procedure (flow rate 25.0 mL/h) but without test item ("blank" = column 3).

The water solubility of the test item at a temperature of 20°C was determined (without correction for the purity) to be < 0.042 mg/L (reference 4.8-1).

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