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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:
2017
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
comparable to guideline study
Remarks:
Analytical verification of concentration is not done
Qualifier:
according to guideline
Guideline:
other: OECD 115
Deviations:
no
Principles of method if other than guideline:
Concentration (CMC) is used to specify the water solubility. The CMC has been determined with the tensiometer KRUSS KT 100, which consists in the measurement of the surface tension with of a platinic plate, whereby the surfactant solution is continuously diluted by means of bi-distillated water. As long as the surfactant molecules do not yet aggregate to micelles the concentration of non-aggregated surfactant molecules increases and the surface tension decreases. At concentration higher than the CMC the concentration of micelles increases, meanwhile the concentration of non-aggregated surfactant molecules and the surface tension remain more or less constant. Two regression lines are drawn through the points representing the surface tension as a function of the concentration: The first through descending part and the second one through the more or less constant part of the curve. The intersection of both regression lines defines the CMC.
GLP compliance:
not specified
Type of method:
other: Tensiometer Kruss Standard plate method
Water solubility:
11.15 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
Remarks on result:
other: Critical micelle concentration
Key result
Water solubility:
2.24 mg/L
Conc. based on:
test mat.
Temp.:
25 °C
Remarks on result:
other: Corrected value for dry matter

Results: The intercept of the regression lines at stable surface tension and the line representing the lineal decrease of Surface tension is considered to represent the Critical Micelle Concentration (CMC).

The Critical Micelle Concentration is therefore estimated as 11.150 mg/L.

Concentration (mg/L) avg Surface tesnion (mN/m)
1000 --
1000 22.39
870.958 --
870.958 22.08
758.582 --
758.582 22.00
660.69 --
660.69 22.11
575.43 --
575.43 22.37
501.19 --
501.19 22.36
436.51 --
436.51 22.24
380.187 --
380.187 22.26
331.131 --
331.131 22.41
288.4 --
288.4 22.69
251.187 --
251.187 22.98
218.778 --
218.778 23.72
190.54 --
190.54 24.42
165.95
165.95 24.89
144.542 --
144.542 25.69
125.89 --
125.89 26.66
109.64 --
109.64 27.76
95.4985 --
95.4985 28.38
83.17 --
83.17 27.54
72.44 --
72.44 25.74
63.095 --
63.095 26.29
54.95 --
54.95 26.36
47.863 --
47.863 25.96
41.6899 --
41.6899 24.60
36.3 --
36.3 26.11
31.622 --
31.622 26.07
27.542 --
27.542 25.52
23.988 --
23.988 25.66
20.892 --
20.892 25.82
18.196 --
18.196 26.21
15.849 --
15.849 26.75
13.8 --
13.8 26.74
12.022 --
12.022 28.43
10.471 --
10.471 29.38
9.12 --
9.12 32.05
7.94 --
7.94 35.15
6.918 --
6.918 38.56
6.0256 --
6.0256 42.30
5.24 --
5.24 45.56
4.5708 --
4.5708 47.78
3.981 --
3.981 49.33
3.46 --
3.46 50.48
3.01 --
3.01 51.17
2.6308 --
2.6308 52.35
2.29 --
2.29 53.35
1.99 --
1.99 53.60
1.73 --
1.73 54.78
1.5136 -
1.5136 55.80
1.31 --
1.31 56.77
1.1481 --
1.1481 57.05
1 --
1 58.36

The test substance is having more than 70% of water in composition. Using the following equation (suggested by Dobbelstein, 2017) the water solubility of the test substance (dry matter) will be calculated.

Water solubility (WS) = measured WS * (1 -0.7995)

Calculated water solubility of the test substance without moisture content = 11.150 mg/L * (1 -0.7995)

= 11.150 mg/L* (0.2005) = 2.24 mg/L

Conclusions:
Under the study conditions, the the CMC or water solubility of the test substance was determined to be 11.150 mg/L and the corrected water solubility for the water free test substance was calculated to be 2.24 mg/L at 25°C.
Executive summary:

A study was conducted to determined the water solubility of the test substance, based on critical micelle concentration (CMC), similar to the OECD Guideline 115 and EU Method A.5. Under the study conditions, the the CMC or water solubility of the test substance was determined to be 11.150 mg/L and the corrected water solubility for the water free test substance was calculated to be 2.24 mg/L at 25°C (Dobbelstein, 2017).

Description of key information

The water solubility was determined based on critical micelle concentration evaluated according to a method similar to OECD Guideline 115 and EU Method A.5 (Dobbelstein, 2017).

Key value for chemical safety assessment

Water solubility:
2.24 mg/L
at the temperature of:
25 °C

Additional information