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EC number: 947-953-7 | CAS number: -
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2018-03-19 to 2018-03-28
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Referenceopen allclose all
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- 1995
- Deviations:
- yes
- Remarks:
- Gel formation was observed when large volumes of test material are dissolved in water. Therefore, it was not possible to weigh the fivefold saturation concentration of the test item in water in order to perform a main study as described in the guidelines.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- 2014
- Deviations:
- yes
- Remarks:
- Gel formation was observed when large volumes of test material are dissolved in water. Therefore, it was not possible to weigh the fivefold saturation concentration of the test item in water in order to perform a main study as described in the guidelines.
- GLP compliance:
- yes
- Type of method:
- flask method
Test material
- Reference substance name:
- Reaction mass of Reaction product of 1-chloro-3-{[1-chloro-3-(dodecyloxy)propan-2-yl]oxy}propan-2-ol with methyl diethanolamine and [3-(dodecyloxy)-2-hydroxypropyl]bis(2-hydroxyethyl)methylammonium chloride
- IUPAC Name:
- Reaction mass of Reaction product of 1-chloro-3-{[1-chloro-3-(dodecyloxy)propan-2-yl]oxy}propan-2-ol with methyl diethanolamine and [3-(dodecyloxy)-2-hydroxypropyl]bis(2-hydroxyethyl)methylammonium chloride
- Test material form:
- other: solid, very viscous yellow paste
Constituent 1
Results and discussion
Water solubility
- Key result
- Water solubility:
- > 500 g/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- 9.03
- Details on results:
- By means of visual assessment, the transition point from gel-like to dissolved solution was determined. The content of the first completely dissolved solution was determined by LC-MS-MS. The test item concentration in this solution was determined as 493.4 g/L at 20.0 °C.
The measured water solubility is no definitive value but only a limit solubility. The higher concentred solutions were not able to determine because of the high viscosity.
Therefore, water solubility of test item was estimated to lie at or above this value and therefore stated as > 500 g/L.
Any other information on results incl. tables
Observations main study at room temperature:
Flask |
g test item |
mL H2O |
Appearance |
Tyndall effect |
Viscosity |
pH |
1 |
10.0012 |
5 |
turbid |
not tested |
high viscous |
- |
2 |
10.0016 |
10 |
turbid |
not tested |
high viscous |
8.82 |
3 |
10.0006 |
20 |
clear liquid |
yes |
slightly viscous |
9.03 |
4 |
10.0014 |
25 |
clear liquid |
yes |
not viscous |
9.00 |
5 |
10.0010 |
30 |
clear liquid |
yes |
not viscous |
8.99 |
6 |
10.0001 |
35 |
clear liquid |
yes |
not viscous |
9.04 |
7 |
10.0011 |
40 |
clear liquid |
yes |
not viscous |
9.02 |
8 |
10.0006 |
45 |
clear liquid |
yes |
not viscous |
9.03 |
9 |
10.0011 |
50 |
clear liquid |
yes |
not viscous |
8.89 |
Applicant's summary and conclusion
- Conclusions:
- The water solubility of the test item was estimated to be > 500 g/L at 20.0 °C.
- Executive summary:
In the current study the water solubility of the test item was determined by visual assessment and subsequent measurement using LC-MS/MS. Due to the surface tension properties of the test item, deviations to OECD 105, flask method were required.
The first main test was aborted because gel formation hampered the assessment of the water solubility. In a second main test, flasks with a loading rate of 200 to 2000 mg/L were shaken for 25h. The transition point from gel-like to dissolved solution was determined by visual assessment. The content of the first completely dissolved solution was determined by LC-MS/MS.
The measured water solubility is no definitive value but only a limit solubility. The higher concentred solutions were not able to determine because of the high viscosity. Therefore, water solubility of test item was estimated to lie at or above this value and therefore stated as > 500 g/L at 20.0 °C.
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