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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:
29.08.-12.09.2006
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)
GLP compliance:
yes
Type of method:
column elution method
Key result
Water solubility:
< 0.058 mg/L
Conc. based on:
test mat.
Temp.:
20 °C
Remarks on result:
other: pH not relevant

Preliminary Visual Estimation of the Water Solubility

Increasing water amounts were added stepwise to different amounts of the test item.

 

Table: Appearance of the test mixtrues

Amount of test item /mg

Total volume of demineralized water / mL

Appearance of mixture

101.6

0.1

undissolved

101.6

0.5

undissolved

101.6

1.0

undissolved

 101.6  2.0   

undissolved

 101.6  10.0   

undissolved

 11.0  100   

undissolved

 13.1  500   

undissolved

 13.0  1000   

undissolved

 

The preliminary visual experiments showed that the water solubility of the test item was < 13 mg/L. According to the preliminary test the water solubility was determined by the column elution method in the main test.

Preliminary Visual Estimation of the Octanol Solubility

Increasing amounts of the test item were added stepwise to 20 ml octanol.

 

Table: Appearance of the test mixtures

Total amount of test item /mg

Total volume in mL

Appearance of mixture

28.1

20

dissolved

49.8

20

dissolved

78.8

20

dissolved

 158.2  20

dissolved

 281.3  20

dissolved

 447.4  20

dissolved, solubility > 22.4 g/l

 

The preliminary visual experiments showed that the octanol solubility of the test item is above 22.4 g/l. Therefore the test item could be extracted from the aqueous phases with octanol.

Column 1:

Rotation period of the fraction accumulator:         90 min per fraction

Average fraction volume:                                          16.7 ml

Flow rate:                                                                      between 10.7 ml/h and 11.3 ml/h

Duration of sampling:                                               about 72 h (48 fractions)

 

Table column elution method, column 1

Fraction no

Combined fractions

V in ml

pH

 measured concentraction in mg/l  water solubility in mg/l

17

1 -1

16.5

6.5

 < 0.867  < 0.069

18

1 -1

16.5

6.7

  < 0.867   < 0.069

19

1 -1

16.5

6.7

  < 0.867   < 0.069

20

1 -2

16.5

6.6

  < 0.867  < 0.058

21

1 -2

16.5

6.4

  < 0.867   < 0.058
 22  1 -2  16.5  6.4   < 0.867   < 0.058
 23  1 -3  17.0  6.4   < 0.867  < 0.058
 24  1 -3  17.0  6.5   < 0.867   < 0.058
 25  1 -3  17.0  6.4   < 0.867  < 0.058
 26  1 -4  17.0  6.5   < 0.867   < 0.058
 27  1 -4  17.0  6.7   < 0.867   < 0.058
 28  1 -4  17.0  6.6   < 0.867   < 0.058
 29  1 -5  17.0  6.6   < 0.867   < 0.058
 30  1 -5  17.0  6.8   < 0.867   < 0.058
 31  1 -5  17.0  6.7   < 0.867   < 0.058

 

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 2:

Rotation period of the fraction collector:         45 min per fraction

Average fraction volume:                                   14.8 ml

Flow rate:                                                               between 20.7 ml/h and 22.7 ml/h

Duration of sampling:                                        about 72 h (96 fractions)

 

Table column elution method, column 2

Fraction no

Combined fractions

V in ml

pH

 measured concentraction in mg/l  water solubility in mg/l

50

2 -1

16.0

6.1

 < 0.867  < 0.058

51

2 -1

16.0

6.7

  < 0.867   < 0.058

52

2 -1

16.0

6.6

  < 0.867   < 0.058

53

2 -2

15.5

6.7

  < 0.867  < 0.058

54

2 -2

15.5

6.6

  < 0.867   < 0.058
 55  2 -2  15.5  7.0   < 0.867   < 0.058
 56  2 -3  15.5  7.2   < 0.867  < 0.058
 57  2 -3  15.5  6.8   < 0.867   < 0.058
 58  2 -3  15.5  6.7   < 0.867  < 0.058
 59  2 -4  15.5  6.5   < 0.867   < 0.058
 60  2 -4  15.5  6.7   < 0.867   < 0.058
 61  2 -4  15.5  7.7   < 0.867   < 0.058
 62  2 -5  15.5  7.2   < 0.867   < 0.058
 63  2 -5  15.5  7.2   < 0.867   < 0.058
 64  2 -5  15.5  6.9   < 0.867   < 0.058

Column 3:

Rotation period of the fraction collector:         45 min per fraction

Average fraction volume:                                  14.3 ml

Flow rate:                                                              between 20.0 ml/h and 22.0 ml/h

Duration of sampling:                                       about 72 h (96 fractions)

Table column elution method, column 3 (blank)

Fraction no

Combined fractions

V in ml

pH

 measured concentraction in mg/l  water solubility in mg/l

50

3 -1

15.0

7.3

 < 0.867  < 0.058

51

3 -1

15.0

7.0

  < 0.867   < 0.058

52

3 -1

15.0

6.8

  < 0.867   < 0.058

53

3 -2

15.0

6.7

  < 0.867  < 0.058

54

3 -2

15.0

6.4

  < 0.867   < 0.058
 55  3 -2  15.0  6.7   < 0.867   < 0.058
 56  3 -3  15.0  7.4   < 0.867  < 0.058
 57  3 -3  15.0  7.6   < 0.867   < 0.058
 58  3 -3  15.0  7.3   < 0.867  < 0.058
 59  3 -4  15.0  7.3   < 0.867   < 0.058
 60  3 -4  15.0  7.3   < 0.867   < 0.058
 61  3 -4  15.0  7.3   < 0.867   < 0.058
 62  3 -5  15.0  6.8   < 0.867   < 0.058
 63  3 -5  15.0  7.1   < 0.867   < 0.058
 64  3 -5  15.0  7.3   < 0.867   < 0.058

Result column 1: The water solubility was found to be < 0.058 mg/L (without correction of the purity)

Result column 2: The water solubility was found to be < 0.058 mg/L (without correction of the purity)

Result column 3: The blank concentration was found to be < 0.058 mg/L

 

Table Coating check

 

Amount of test item

used for coating /mg

Measured concentration of

 test item in eluate /mg/L

Amount of test item

 eluated /mg

Column 1

22.4

3.0 / 2.9

14.9

Column 2

22.4

3.2 / 3.2

16.1

 

The coating check was successful.

Conclusions:
The water solubility cs of the test item at a temperature of 20°C was determined according to the column elution method. It was found to be < 0.058 mg/L.
Executive summary:

The water solubility was determined according to OECD 105 using the column elution method. The preliminary test showed that the water solubility of the test item is < 10 mg/L. The column elution method showed a solubility: cs < 0.058 mg/L.

Description of key information

The water solubility cs of the test item at a temperature of 20°C was determined according to the column elution method was found to be < 0.058 mg/L.

Key value for chemical safety assessment

Additional information

The water solubility was determined according to OECD 105 using the column elution method. The preliminary test showed that the water solubility of the test item is < 10 mg/L. The column elution method showed a solubility: cs < 0.058 mg/L.