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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:
17.07. - 13.11.14
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)
Deviations:
no
GLP compliance:
no
Type of method:
column elution method
Key result
Water solubility:
0.247 mg/L
Conc. based on:
test mat.
Loading of aqueous phase:
1 g/L
Incubation duration:
72 h
Temp.:
20 °C
pH:
> 5.7 - < 5.9

Column 3:

Rotation period of the fraction collector: 90 min per fraction

Duration of sampling: about 72 h (48 fractions) 

Fraction

V

pH

water solubility

no.

in mL

in µg/L

39

17.0

5.7

245.8

40

17.0

5.7

235.2

41

17.0

5.7

262.7

42

17.0

5.7

189.5

43

17.0

5.7

209.7

Evaluation of the fractions 39 to 43:

The water solubility was found to be 228.6 ± 29.1 µg/L.

 

Column 4:

Rotation period of the fraction collector: 45 min per fraction Duration of sampling: about 71 h (95 fractions)

Fraction no.

V in mL

pH

water solubility in µg/L

82

17.0

5.8

264.4

83

17.0

5.9

258.7

84

17.0

5.8

274.9

85

17.0

5.8

266.7

86

16.5

5.8

260.0

 

Evaluation of the fractions 82 to 86:

The water solubility was found to be 264.9 ± 6.5 µg/L. 

In column 3 and 4 the concentration of five consecutive fractions was constant within ± 30 %. No increasing or decreasing tendency was observed. 

The water solubility of the test item (mean value of column 3 and column 4) was 247 ± 25.7 µg/L.

Conclusions:
The water solubility of the test item at a temperature of 20°C was determined to be 0.247 mg/L.
Executive summary:

The water solubility was determined according to OECD 105 using the column elution method with HPLC analysis. 99.7 mg of the test item were dissolved in 100 mL acetone. For charging the columns in each case 25 mL of the test item solution was added to about 3 g of sea sand and the mixtures were shaken. The solvent was then removed under reduced pressure using a rotary evaporator (50 °C, approx. 20 mbar). The dry residues were placed into the columns of the test apparatus, which have afterwards been filled with water (test temperature: 20 °C; water pH at 23 °C: 5.5). After a swelling time of 2 h pumps were started to rinse the test item coated sand with distilled water. The values for the water solubility were calculated from fractions 39 to 43 for the 12.5 mL/h column and from the fractions 82 to 86 for the 25.0 mL/h column. In both columns the concentration of five consecutive fractions was constant within ± 30 %. No increasing or decreasing tendency was observed. The water solubility of the test item (mean value of column 3 and column 4) was 247 µg/L.

Description of key information

The water solubility of the test item at a temperature of 20°C was determined to be 0.247 mg/L (reference 4.8-1).

Key value for chemical safety assessment

Water solubility:
247 µg/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). 99.7 mg of the test item were dissolved in 100 mL acetone. For charging the columns in each case 25 mL of the test item solution was added to about 3 g of sea sand and the mixtures were shaken. The solvent was then removed under reduced pressure using a rotary evaporator (50 °C, approx. 20 mbar). The dry residues were placed into the columns of the test apparatus, which have afterwards been filled with water (test temperature: 20 °C; water pH at 23 °C: 5.5). After a swelling time of 2 h pumps were started to rinse the test item coated sand with distilled water. The values for the water solubility were calculated from fractions 39 to 43 for the 12.5 mL/h column and from the fractions 82 to 86 for the 25.0 mL/h column. In both columns the concentration of five consecutive fractions was constant within ± 30 %. No increasing or decreasing tendency was observed. The water solubility of the test item (mean value of column 3 and column 4) was 247 µg/L.