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EC number: 931-329-6 | CAS number: 68155-07-7
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Study period:
- From Oct. 2009 to March 2010
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Remarks:
- Study conducted using scientifically acceptable experimental methods and WATERNT v 1.01 estimation method of EPISUITE v 4
- Principles of method if other than guideline:
- In the absence of a reliable analytical method for the quantification of the test item dissolved in water the incidence of turbidity due to visible dispersion was used as an approximation of the water solubility limit. This turbidity was observed visually or with the aid of a spectrometer.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- other: Various experimental methods (EEC A.6 Water solubility preliminary test; dilution test; water titration; turbidity analysis using UV-VIS) and estimation using WATERNT v 1.01 program of EPISUITE v 4
- Key result
- Water solubility:
- >= 15 - <= 30 mg/L
- Remarks on result:
- other: Value based on various experimental methods and estimation. Since experiments and estimation were done at different temperatures, therefore no value for temperature provided here. Please see Table 1 for details.
- Details on results:
- Calculation method:
As it can be seen from Table 2 that for 30 mg of REWOMID DC 212 S in 1L of water the calculated C18 amide amount of 0.6 mg/L exceeded its solubility limit which equals 0.48 mg/L. The same situation appeared for the C18’ constituent: The calculated amount of 1.20 mg/L is greater than its water solubility limit of 1.06 mg/L. In case of increasing the amount of REWOMID DC 212 S to 70 mg/L also the water solubility of C16 amide is exceeded. However for amounts of REWOMID DC 212 S up to and including 20 mg/L all constituents of REWOMID DC 212 S remain below the predicted solubility limits in water. Overall, based on the comparisons made in Table 2 it can be concluded that the water solubility of REWOMID DC 212 S is between 20-30 mg. - Conclusions:
- Using various experimental methods as well as an estimation based on WATERNT v 1.01 (EPISUITE v. 4.0) the water solubility of amides, C8 -18 and C18 -unsatd., N,N-bis(hydroxyethyl) was determined to range from 15 to 30 mg/L.
- Executive summary:
Amides, C8 -18 and C18 -unsatd., N,N-bis(hydroxyethyl) is composed of multiple constituents rendering the task of a reliable analytical quantification of amides, C8-18 and C18-unsatd., N,N-bis(hydroxyethyl) dissolved in water, difficult. Under the assumption that the water solubility limit of amides, C8 -18 and C18 -unsatd., N,N-bis(hydroxyethyl) corresponds to the maximum amount of amides, C8-18 and C18-unsatd., N,N-bis(hydroxyethyl) added to the point when the mixture becomes turbid different experimental approaches (EEC A.6 Water solubility preliminary test, dilution test, water titration, UV-VIS absorbance measurement) were used to approximate the water solubility of amides, C8-18 and C18-unsatd., N,N-bis(hydroxyethyl).This turbidity was observed visually or with the aid of a spectrometer. Further, the water solubility of amides, C8 -18 and C18-unsatd., N,N-bis(hydroxyethyl) was estimated by WATERNT v 1.01 using EPI Suite v 4 at 25 ºC. Using these experimental methods as well as an estimation based on WATERNT v 1.01 (EPISUITE v. 4.0) the water solubility of amides, C8-18 and C18-unsatd., N,N-bis(hydroxyethyl)was determined to range from 15 to 30 mg/L.
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- May 2020 - Ongoing
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- other:
- Remarks:
- slow stirring method
- Remarks on result:
- not determinable
- Remarks:
- Water solubility could not be determined due to the formation of an emilsion at all test concentrations.
- Conclusions:
- Under the study conditions, a valid water solubility value could not be determined due to the formation of an emulsion at all test concentrations.
Referenceopen allclose all
Table 1. The results of REWOMID DC 212 S water solubility tests and calculation
Method |
Evaluated water solubility of REWOMID DC 212 S, mg/L |
EEC A.6 Water solubility preliminary test |
< 100 at 20 ºC |
Dilution test |
15-30 at 20 ºC |
Water “titration’’ |
< 30 |
Visual observation of mixtures used for UV-VIS absorbance measurement |
10-30 |
UV-VIS absorbance measurement |
30 |
Estimation method WATERNT v 1.01 of EPISUITE v 4 |
20-30 at 25 ºC |
Table 2.Calculated REWOMID DC 212 S constituents water solubility and their content in REWOMID DC 212 S-water
mixtures
Component |
Component concentration (%) |
Calculated water solubility at 25 ºC (mg/L) |
Constituent concentration after addition of x mg of REWOMID DC 212 S to 1 L of water, mg/L |
|||||
REWOMID 212 S added , mg/L |
||||||||
10 |
20 |
30 |
40 |
50 |
70 |
|||
Amides: |
|
|
|
|
|
|
|
|
C8 |
7.0 |
70175 |
0.7 |
1.4 |
2.1 |
2.8 |
3.5 |
4.9 |
C10 |
6.0 |
6635.2 |
0.6 |
1.2 |
1.8 |
2.4 |
3 |
4.2 |
C12 |
40.2 |
620.04 |
4.0 |
8.0 |
12.1 |
16.1 |
20.1 |
28.1 |
C14 |
16.0 |
57.39 |
1.6 |
3.2 |
4.8 |
6.4 |
8 |
11.2 |
C16 |
8.0 |
5.27 |
0.8 |
1.6 |
2.4 |
3.2 |
4 |
5.6 |
C18 |
2.0 |
0.48 |
0.2 |
0.4 |
0.6 |
0.8 |
1 |
1.4 |
C18’ |
4.0 |
1.06 |
0.4 |
0.8 |
1.2 |
1.6 |
2 |
2.8 |
C18’’ |
2.0 |
2.33 |
0.2 |
0.4 |
0.6 |
0.8 |
1 |
1.4 |
glycerol monolaurate |
3.0 |
148.53 |
0.3 |
0.6 |
0.9 |
1.2 |
1.5 |
2.1 |
glycerol |
8.0 |
106 |
0.8 |
1.6 |
2.4 |
3.2 |
4 |
5.6 |
diethanolamine |
3.8 |
106 |
0.4 |
0.8 |
1.1 |
1.5 |
1.9 |
2.7 |
Description of key information
Different experimental approaches were used to approximate the water solubility of the test substance, which could be defined as the amount of substance added to the point when the mixture becomes turbid. Turbidity was observed visually or with the aid of a spectrometer. Water solubility was also estimated using the WATERNT v 1.01 program of EPI SUITE v 4.0 at 25°C (Zielinski, 2010).
Water solubility testing using OECD Guideline 105 was conducted with a different batch of test substance in 2022. The results confirmed initial conclusions; no valid results could be obtained at guideline-compliant loading rates of 10 and 50 g/L due to the formation of emulsions (Schreitmüller, 2022).
For risk assessment purposes, the initially established water solubility value of 15 mg/L was therefore retained.
Key value for chemical safety assessment
- Water solubility:
- 15 mg/L
- at the temperature of:
- 20 °C
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