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Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
yes
Remarks:
measurement of turbidity
Qualifier:
equivalent or similar to guideline
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
yes
Remarks:
measurement of turbidity
GLP compliance:
yes (incl. QA statement)
Type of method:
other: modified flask method
Key result
Water solubility:
ca. 1 mg/L
Temp.:
20 °C
pH:
6.8 - 9.1
Remarks on result:
other: The test was performed at room temperature
Details on results:
The results from the two individual tests were 2.2 and 0.8 mg/L with a mean value of 1.5 mg/L (calculated from non-rounded values, see Table 1). Since the turbidimetric method generally shows more of a variation than other methods, it seems more realistic to report the solubility as "ca. 1 mg/L".
Higher pH values were measured at nominal test material concentrations above approx. 100 mg/L (pH 8-9). At lower concentrations pH values were in the range of 7-8.

Table 1: Turbidimetric determination of critical micelle concentration

 

Run 1

Sample

Concentration

Turbidity measurements (NTU)

pH

ln

ln

 

(mg/L)

1

2

3

Mean

 

concentration

turbidity

 

 

 

 

 

 

 

 

 

1

422.7

46.3

46.3

46.2

46.3

9.2

6.047

3.834

2

211.3

24.3

24.2

24.1

24.2

8.7

5.353

3.186

3

105.7

11.4

11.4

11.6

11.5

7.6

4.661

2.439

4

52.83

5.12

5.10

5.17

5.13

7.1

3.967

1.635

5

26.42

8.88

8.70

8.56

8.71

6.9

3.274

2.165

6

13.21

1.27

1.28

1.29

1.28

6.9

2.581

0.247

7

6.604

0.79

0.72

0.84

0.78

6.8

1.888

-0.244

8

3.302

0.49

0.36

0.48

0.44

6.8

1.195

-0.813

9

1.651

0.20

0.31

0.19

0.23

6.8

0.501

-1.455

10

0.8255

0.45

0.45

0.54

0.48

7.2

-0.192

-0.734

11

0.4128

0.40

0.49

0.50

0.46

6.8

-0.885

-0.769

12

0.2064

0.54

0.43

0.53

0.50

7.0

-1.578

-0.693

13

0.1032

0.53

0.54

0.54

0.54

6.9

-2.271

-0.622

14

0.05159

0.54

0.57

0.57

0.56

7.1

-2.964

-0.580

15

0.01290

0.67

0.69

0.71

0.69

7.0

-4.351

-0.371

 

 

 

 

 

 

 

 

 

 

Linear regression of points 1 to 9:

Linear regression of points 9 to 15:

 

y(1) = 0.9597x - 1.9206

 

y(2) = 0.1690x - 1.0298

 

When y(1) = y(2), x = ln CMC

 

 

CMC = 2.2 mg/L

 

 

Run 2

Sample

Concentration

Turbidity measurements (NTU)

pH

ln

ln

 

(mg/L)

1

2

3

Mean

 

concentration

turbidity

 

 

 

 

 

 

 

 

 

1

366.1

64.4

63.6

63.5

63.8

9.1

5.903

4.156

2

183.1

34.9

31.8

33.1

33.3

8.8

5.210

3.505

3

91.53

17.0

16.6

16.7

16.8

8.2

4.517

2.819

4

45.76

8.26

8.35

8.18

8.26

7.8

3.823

2.112

5

22.88

4.52

4.60

4.60

4.57

7.7

3.130

1.520

6

11.44

2.12

1.99

2.12

2.08

8.0

2.437

0.731

7

5.720

1.36

1.19

1.27

1.27

7.7

1.744

0.242

8

2.860

0.57

0.77

0.77

0.70

7.6

1.051

-0.352

9

1.430

0.59

0.59

0.58

0.59

7.9

0.358

-0.533

10

0.7150

0.33

0.46

0.26

0.35

8.0

-0.335

-1.050

11

0.3575

0.41

0.34

0.27

0.34

8.3

-1.029

-1.079

12

0.1788

0.18

0.47

0.18

0.28

8.0

-1.721

-1.285

13

0.08938

0.35

0.12

0.04

0.17

8.2

-2.415

-1.772

14

0.04469

0.25

0.39

0.39

0.34

7.9

-3.108

-1.069

15

0.02234

0.28

0.27

0.26

0.27

7.6

-3.801

-1.309

16

0.01117

0.25

0.43

0.14

0.27

8.0

-4.495

-1.297

17

0.005586

0.43

0.55

0.56

0.51

7.8

-5.187

-0.667

 

 

 

 

 

 

 

 

 

 

Linear regression of points 1 to 10:

Linear regression of points 10 to 17:

 

y(1) =0.8514x - 1.0551

 

y(2) =-0.0381x - 1.2962

 

When y(1) = y(2), x = ln CMC

 

 

CMC = 0.8 mg/L

 

 

Conclusions:
Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)

Description of key information

ca. 1 mg/L at 20 °C, pH 7-9 (OECD 105 and EU A.6)

Key value for chemical safety assessment

Additional information

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