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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:
August 2000
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
GLP compliance:
yes
Type of method:
column elution method
Key result
Water solubility:
< 0.005 mg/L
Conc. based on:
test mat.
Temp.:
20 °C
pH:
ca. 7.15
Details on results:
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 have to be calculated from at least 5 fractions; therefore in the presented study they were determined from the fractions 11 to 20 for both columns. Results for fractions 6 to 10 are reported for information only. Fraction 21 and all following fractions were discarded without, determination of any parameter.

Result run 1: Evaluation of the fractions 11 to 20. The water solubility was found to be less than 0.005 mg/L.
Result run 2: Evaluation of the fractions 11 to 20. The water solubility was found to be less than 0.005 mg/L.

Experimental Data

Column-elution method: Run 1 (applied standards: 0.005214 mg/L for fractions 6 to 10; average HPLC peak area: 0.2215; 0.005214 mg/L for fractions 11 to 15; average HPLC peak area: 0.2065; 0.005214 mg/L for fractions 16 to 20; average HPLC peak area: 0.2210).

Fraction

V

- pH

HPLC peak

concentration

No.

(mL)

 

area *

(mg/L)

6

18.2

7.12

< 0.2215

< 0.005214

7

18.4

7.12

< 0.2215

< 0.005214

a

18.4

6.97

< 0.2215

< 0.005214

9

18.4

6.94

< 0.2215

< 0.005214

10

18.4

6.97

< 0.2215

< 0.005214

11

18.4

7.03

< 0.2065

< 0.005214

12

18.4

7.14

< 0.2065

< 0.005214

13

18.5

7.11

< 0.2065

< 0.005214

14

18.5

7.17

< 0.2065

< 0.005214

15

18.5

7.08

< 0.2065

< 0.005214

16

18.4

7.03

< 0.2210

< 0.005214

17

18.4

7.05

< 0.2210

< 0.005214

18

18.5

7.04

< 0.2210

< 0.005214

19

18.5

7.08

< 0.2210

< 0.005214

20

18.4

6.99

< 0.2210

< 0.005214

Column-elution method: Run 2 (applied standards: 0.005194 mg/L for fractions 6 to 10; average HPLC peak area: 0.1870; 0.005194 mg/L for fractions 11 to 15; average HPLC peak area: 0.2110; 0.005194 mg/L for fractions 16 to 20; average HPLC peak area: 0.2060).

Fraction

V -

pH

HPLC peak

cs

No.

(mL)

 

area *

(mg/L)

6

18.9

6.88

0.1570

0.004361

7

19.0

• 6.81

< 0.1870

< 0.005194

8

19.0

7.03

< 0.1870

< 0.005194

g

19.0

6.71

< 0.1870

< 0.005194

10

18.9

6.95

< 0.1870

< 0.005194

11

18.9

6.76

< 0.2110

< 0.005194

12

18.9

6.82

< 0.2110

< 0.005194

13

18.7

6.84

< 0.2110

< 0.005194

14

18.8

6.85

< 0.2110

< 0.005194

15

18.8

6.68

< 0.2110

< 0.005194

16

18.8

6.87

< 0.2060

< 0.005194

17

18.7

6.88

< 0.2060

< 0.005194

18

18.7

6.92

< 0.2060

< 0.005194

19

18.9

6.89

< 0.2060

< 0.005194

20

18.9

6.92

< 0.2060

< 0.005194

 

Conclusions:
The water solubility of the test item was determined to be below 0.005 mg/L at 20°C and pH 7.15
Executive summary:

The water solubility was determined according to OECD 105 using the column elution method with HPLC analysis. In a preliminary test increasing water amounts were added to about 10 mg of the test substance and treated with ultra sound for 30 minutes. Even in a total volume of 1000 mL undissolved particles was observed. Thus the water solubility of the test substance was less than 10 mg/L and had to be determined using the column elution method. 0.1049 g of the test substance were dissolved in 25 mL acetonitrile. 10 mL of this solution were added to about 3 g of sea-shore sand and the mixture was shaken. The solvent was then removed under reduced pressure using a rotary evaporator. Two identical samples were prepared; one of them was exposed to a flow rate of 12.5 mL/h, the other one to 25 mL/h. After measurement of volume, pH and temperature, the selected fractions were directly subjected to HPLC analysis. The water solubility of the test substance at a temperature of 20°C was determined (average over both runs, fractions 11 to 20) to be below 0.005 mg/L.

 

Description of key information

The water solubility of the test item was determined to be below 0.005 mg/L at 20°C and pH 7.15 (reference 4.8 -1).

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. In a preliminary test increasing water amounts were added to about 10 mg of the test substance and treated with ultra sound for 30 minutes. Even in a total volume of 1000 mL undissolved particles was observed. Thus the water solubility of the test substance was less than 10 mg/L and had to be determined using the column elution method. 0.1049 g of the test substance were dissolved in 25 mL acetonitrile. 10 mL of this solution were added to about 3 g of sea-shore sand and the mixture was shaken. The solvent was then removed under reduced pressure using a rotary evaporator. Two identical samples were prepared; one of them was exposed to a flow rate of 12.5 mL/h, the other one to 25 mL/h. After measurement of volume, pH and temperature, the selected fractions were directly subjected to HPLC analysis. The water solubility of the test substance at a temperature of 20°C was determined (average over both runs, fractions 11 to 20) to be below 0.005 mg/L.