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EC number: 947-449-7 | CAS number: -
Water solubility
Administrative data
Link to relevant study record(s)
- 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
- 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).
Reference
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
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
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