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Physical & Chemical properties

Water solubility

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Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
8 Apr 2020 - 8 Feb 2021
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)
GLP compliance:
yes
Type of method:
column elution method
Water solubility:
>= 5 - <= 20 µg/L
Temp.:
20 °C
pH:
6.3

Preliminary test:

Experiment

Water [mL]

Test Item [mg]

Result

A

2.0

102.28

Hazy mixture, 2 phases

B

2.0

1.30

Hazy mixture, droplets observable

C

8.0

4.70

Hazy mixture

D

25

8.94

Hazy mixture

E

100

1.20

Slight hazy mixture

Based on these results, the column elution method was considered suitable for the determination of the water solubility of the test item.

Main test results

The concentrations of the test item in different test solutions were calculated automatically using the equation of the calibration curve. The results are shown in the following table (pH = 6.3):

Flow rate (mL/h)

Fraction No. (combined aliquots)

Concentration of the test item (µg/L)

25.0

1(1-2)

20

2(3-4)

15

3(5-6)

20

4(7-8)

20

5(9-10)

20

6(11-12)

5

7(13-14)

20

8(15-16)

15

12.5

1(1-2)

5

2(3-4)

10

3(5-6)

5

4(7-8)

10

5(9-10)

15

6(11-12)

5

7(13-14)

20

8(15-16)

10

Final results:

Flow rate

Value

25.0 mL/h (fractions 1-8)

Mean

16.9 mg/L

Rel. SD

31.4%

12.5 mL/h (fractions 1-8)

Mean

10.0 mg/L

Rel. SD

53.5%

OECD 105 states that at least five successive fractions should not deviate by more than 30% to demonstrate a concentration plateau. Although this is formally not achieved by these experiments the mean values of the two runs are in reasonable agreement, and at these low levels are considered acceptable.

The water solubility of the test item is hence given as the range between 5 and 20 µg/L as observed in the individual fractions.

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2010-06-01 to 2010-06-02
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Guideline study with acceptable restrictions (only visual estimation possible due to complex correlation between the concentration of the test item and the measured turbidity).
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
GLP compliance:
no
Type of method:
flask method
Water solubility:
< 4.7 mg/L
Temp.:
24 °C
pH:
6.5

Study Results

System check (20 °C) (with StablCal®, Formazine-standardsolutions)

Turbidity certified [NTU]

Turbidity measured [NTU]

Standard 1

< 0.10

0.05

Standard 2

20

20.1

Standard 3

100

99.7

Sample measurement (20 °C):

 

 

Test item Solution No.

Concentration [mg/L]

Turbidity [NTU]

1

4.7

2.7

2

14.7

15.9

3

30.0

21.9

4

58.3

27.8

5

75.1

27.9

6

113.4

33.6

7

142.6

72.6

On the basis of the turbidity curve no significant point of incipient turbidity can be detected. Up to a concentration of 30 mg/L the turbidity increase with the concenctration, between 30 mg/L and 110 mg/L a plateau can be observed. At higher concentrations the turbidity is increasing significantly.

Based on the results of laboratory measurements / turbidita measurements, the water solubility is estimated to be lower than 4.7 mg/L.

Annotation: pH value of the sample solution was 6.5. Dilutions made at 24 °C.

Determination of water solubility is not possible as the turbidity changes with the concentration of the test item in water. This was also confirmed by measurement of turbidity.

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2011-12-22
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study with acceptable restrictions
Remarks:
total organic carbon analysis
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Guideline:
other: EPA 9060A 2004
GLP compliance:
no
Type of method:
other: total organic carbon analysis
Water solubility:
23.07 mg/L
Temp.:
20 °C
pH:
5.98
Remarks on result:
other: solubility value given as TOC - total organic carbon

Test results:

Sample #

1

2

3

Equilibration time for solubilization

1 week

Weight [g]

0.5005

0.5122

0.5036

Volume of water [mL]

500

Water solubility (as TOC)

20.91

25.21

23.09

Description of key information

5 -20 µg/L at 20 °C, pH = 6.3 (OECD 105 and EU A.6)

Key value for chemical safety assessment

Additional information

In two earlier experiments, less precise values were obtained: < 4.7 mg/L at 24 °C (OECD 105, visual estimation) and 23.07 mg/L at pH 6 and 20 °C (total organic carbon analysis).