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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:
2007-01-04 to 2007-01-12
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
1995
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
column elution method
Key result
Water solubility:
< 0.02 mg/L
Conc. based on:
test mat.
Incubation duration:
2 h
Temp.:
20 °C
pH:
>= 6.5 - <= 8

Preliminary Visual Estimation of the Water Solubility

Amounts of the test item and water were stirred at room temperature until the mixture appeared

dissolved or the water solubility could be estimated to be below 10 mg/L.

Table 1: Appearance of the test mixtures

Amount of the test Item

in mg

Total volume

in mL

Appearance of

mixture

77.6

0.1

undissolved1)

0.5

undissolved1)

1.0

undissolved1)

2.0

undissolved1)

10.0

undissolved1)

100.0

undissolved2)

12.5

100

undissolved2)

9.91

500

undissolved2)

11.8

1000

undissolved2)

1): After adding the indicated amount of water, the solution was treated with ultrasound for 10 minutes.

2): After adding the indicated amount of water, the solution was stirred for 60 minutes.

 

The solubility of the test item in water is below 11.8 mg/L (without correction of the purity). Therefore

the water solubility had to be determined by the “column elution method”.

 

Column elution method

Individual Conditions

Column 1:

Rotation period of the fraction accumulator: 90 min per fraction

Average fraction volume: 15.0 mL

Flow rate: between 10.7 and 11.3 mL/h

Duration of sampling: about 76.5 h (51 fractions)

Column 2:

Rotation period of the fraction accumulator: 45 min per fraction

Average fraction volume: 15.1 mL

Flow rate: between 20.7 and 22.0 mL/h

Duration of sampling: about 76.5 h (102 fractions)

Column 3 (blank):

Rotation period of the fraction accumulator: 45 min per fraction

Average fraction volume: 15.1 mL

Flow rate: between 20.7 and 22.0 mL/h

Duration of sampling: about 76.5 h (102 fractions)

 

Table 2: Column-elution method: Column 1

Fraction no.

Combined

fractions

V in mL

pH

measured

concentration

in mg/L

water solubility

in mg/L

17

1-1

16.5

7.0

 

< 0.27

 

< 0.02

18

16.5

6.5

19

16.5

7.3

20

1-2

16.5

8.0

 

< 0.27

 

< 0.02

21

16.5

7.0

22

16.5

6.5

23

1-3

17.0

6.5

 

< 0.27

 

< 0.02

 

24

17.0

6.2

25

17.0

6.3

26

1-4

17.0

6.2

 

< 0.27

 

< 0.02

27

17.0

6.2

28

17.0

6.2

29

1-5

17.0

6.2

 

< 0.27

 

 

< 0.02

30

17.0

6.3

31

17.0

6.4

 

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 the fractions 17 to 31 is below the detection limit.

Table 3: Column-elution method: Column 2

Fraction no.

Combined

fractions

V in mL

pH

measured

concentration

in mg/L

water solubility

in mg/L

47

2-1

16.0

6.5

 

< 0.27

 

< 0.02

48

16.0

6.6

49

16.0

6.9

50

2-2

16.0

6.3

 

< 0.27

 

< 0.02

51

16.5

6.2

52

16.5

6.3

53

2-3

16.5

6.3

 

< 0.27

 

< 0.02

 

54

16.0

6.2

55

16.0

6.3

56

2-4

16.0

6.2

 

< 0.27

 

< 0.02

57

16.0

6.3

58

16.0

6.3

59

2-5

16.0

6.1

 

< 0.27

 

 

< 0.02

60

16.0

6.1

61

16.0

6.4

 

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 the fractions 47 to 61 is below the detection limit.

 

Table 4: Column-elution method: Column 3 (blank)

Fraction no.

Combined

fractions

V in mL

pH

measured

concentration

in mg/L

water solubility

in mg/L

48

3-1

16.0

6.6

 

< 0.27

 

< 0.02

49

16.0

6.4

50

16.0

6.7

51

3-2

16.0

6.6

 

< 0.27

 

< 0.02

52

16.0

6.4

53

16.0

6.4

54

3-3

16.0

6.5

 

< 0.27

 

< 0.02

 

55

16.0

6.3

56

16.0

6.5

57

3-4

16.0

6.5

 

< 0.27

 

< 0.02

58

16.0

6.6

59

16.0

6.3

60

3-5

16.5

6.3

 

< 0.27

 

 

< 0.02

61

16.5

6.4

62

16.5

6.4

 

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 17 to 31 for column 1, from the fractions 47 to 61 for column 2, from the fractions 48 to 62 for column 3. All other fractions were discarded.

Result column 1:

Evaluation of the fractions 17 to 31:

The water solubility was found to be: < 0.02 mg/L (without correction of the purity)

Result column 2:

Evaluation of the fractions 47 to 61:

The water solubility was found to be: < 0.02 mg/L (without correction of the purity)

Result column 3:

Evaluation of the fractions 48 to 62: The blank concentration was found to be < 0.02 mg/L.

 

Recoveries of the ‘Recheck samples’ range from 97.9 % to 102.9 %, indicating a good accuracy of the analytical method. The coating check was successful.

Conclusions:
The water solubility of the test item was determined to be < 0.02 mg/L at 20 °C and pH 6.5-8 (reference 4.8-1).
Executive summary:

The water solubility was determined according to Regulation (EC) No 440/2008, method A.6 and OECD Guideline No. 105, adopted on 27th July 1995 using the column elution method with GC analysis. A preliminary test was undertaken to determine the approximate water solubility. 85.7 mg of the test item were dissolved in 100 mL aceton. 25 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. The dry residues were placed into the columns of the test apparatus, which have afterwards been filled with water. After a swelling time of 2 h the pump was started to rinse the substance coated sand with distilled water.

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). The water solubility of the test item was determined to be < 0.02 mg/L at 20 °C and pH 6.5-8 (reference 4.8-1).

Description of key information

The water solubility of the test item was determined to be < 0.02 mg/L at 20 °C and pH 6.5-8 (reference 4.8-1).

Key value for chemical safety assessment

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

Additional information

The water solubility was determined according to Regulation (EC) No 440/2008, method A.6 and OECD Guideline No. 105, adopted on 27th July 1995 using the column elution method with GC analysis. A preliminary test was undertaken to determine the approximate water solubility. 85.7 mg of the test item were dissolved in 100 mL aceton. 25 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. The dry residues were placed into the columns of the test apparatus, which have afterwards been filled with water. After a swelling time of 2 h the pump was started to rinse the substance coated sand with distilled water.

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). The water solubility of the test item was determined to be < 0.02 mg/L at 20 °C and pH 6.5-8 (reference 4.8-1).