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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:
19 June 2013 - 18 July 2013
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Test method according to EEC A.6 and OECD 105. GLP study.
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
GLP compliance:
yes (incl. certificate)
Type of method:
flask method
Key result
Water solubility:
< 200 mg/L
Temp.:
20 °C
Remarks on result:
other: Preliminary test
Key result
Water solubility:
>= 0.2 - <= 0.39 mg/L
Temp.:
20 °C
Remarks on result:
other: Dilution test
Key result
Water solubility:
>= 0.2 - <= 0.4 mg/L
Remarks on result:
other: UV-VIS absorbance measurement
Key result
Water solubility:
0.01 mg/L
Temp.:
25 °C
Remarks on result:
other: Calculation - WATERNT program of EPI Suit v 4.0.

1. Preliminary test:

0.1 g in x ml water

0.1

0.5

1

2

10

100

200

250

333

500

1000

T (ºC)

20.1

20.2

20.0

20.1

20.1

20.0

20.2

20.0

20.0

20.1

20.1

Soluble (+/-)

-

-

-

-

-

-

-

-

-

-

-

Approx. solubility (g/L)

>1000

1000 to 200

200 to 100

100 to 50

50 to 10

10 to 1

1 to 0.5

0.5 to 0.4

0.4 to 0.3

0.3 to 0.2

< 0.2

The minus "-" sign means that the substance was still not completely dissolved.

It was found that 0.1 g of the substance was not soluble in 1000 ml of water during 96h preliminary shaking test.

2. Dilution test:

substance content mg/L

200

100

50

25

12.5

6.25

3.13

1.56

0.78

0.39

0.20

T (ºC)

20.0

20.1

20.0

20.1

20.0

20.1

20.2

20.1

20.1

20.2

20.1

Turbidity

+

+

+

+

+

+

+

+

+

+

-

Soluble (+/-)

-

-

-

-

-

-

-

-

-

-

+

Visual observation: The results of this test revealed that the visually found solubility limit of the substance in water was evaluated to in the range of 0.20 - 0.39 mg/l.

UV-VIS spectrum measurements: Based on visual observations it was concluded that only a mixture containing 0.2 mg/l of the substance remained clear. Higher concentrations of the substance caused a turbidity. The solubility is supposed to be in the range of 0.2-0.4 mg/l

3. The effect of loading rate:

Amount of substance (mg)

8

16

24

32

40

80

120

160

400

800

Water volume (ml)

80

80

80

80

80

80

80

80

80

80

Substance loading rate (g/L)

0.1

0.2

0.3

0.4

0.5

1.0

1.5

2.0

5.0

10.0

Calculated TOC (mgC/l)*

75.4

159.8

226.2

301.6

377.0

754.0

1131

1508

3770

7540

Measured TOC clear solution in flask 1 (mgC/l)

3.15

3.11

4.23

4.52

27.8

193

219

--

--

--

Measured TOC clear solution in flask 2 (mgC/l)

1.92

5.91

5.12

15.6

60.3

247

277

--

--

--

Measured average TOC (mgC/l)

3.53

4.51

4.68

10.06

44.05

220

248

 

 

 

pH

5.49

2.91

5.95

6.05

6.11

6.64

6.67

6.92

7.23

7.90

T (ºC)

20.1

19.9

19.9

20.0

19.9

20.0

20.1

20.1

20.0

20.0

*TOC of test item was equal to 0.754 mgC/mg of test item.

--: Technically not feasible to obtain the clear water solution using a membrane filtration.

4. Water solubility calculation:

Based on the comparisons of the individual constituents and their concentrations, the water solubility of the substance was calculated to be close to 0.01 mg/l at 25 ºC (WATERNT program of EPISuite v 4.0).

Conclusions:
Interpretation of results: slightly soluble (0.1-100 mg/L)
The water solubility of the substance was determined to cover the range from 0.2 to 0.4 mg/L at 20 ºC.
Executive summary:

The study of the determination of the substance solubility in water using shake flask method was carried out according to EEC A.6 and OECD 105. The substance consists of multiple constituents (UVCB substance) and a reliable analytical quantification of the test item dissolved in water was difficult. It was technically unfeasible to obtain analytical standards for HPLC analysis. Assuming that the water solubility limit of the substance corresponds to the maximum amount of the substance added to the point when the mixture becomes turbid different experimental approaches were used to approximate the water solubility of the subtance: OECD 105 preliminary test, dilution test, UV-VIS spectrum measurement and calculation method (WATERNT program of EPI Suit v 4.0). Using these experimental methods the water solubility of the substance at 20ºC was determined to cover the range from 0.2 mg/l to 0.4 mg/l.

Description of key information

Key study: Test method EEC A.6, OECD 105. GLP study. The water solubility of the substance was determined to cover the range from 0.2 to 0.4 mg/L at 20 ºC.

Key value for chemical safety assessment

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

Additional information

Key study: The study of the determination of the substance solubility in water using shake flask method was carried out according to EEC A.6 and OECD 105. The water solubility of the substance at 20ºC was determined to cover the range from 0.2 mg/l to 0.4 mg/l.