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EC number: 700-235-5 | CAS number: 174899-82-2
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Study starting date: 15.02.2018; Experimental starting date: 25.04.2018; Experimental completion date: 26.05.2018; Study completion date: 30.05.2018
- Reliability:
- 1 (reliable without restriction)
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 13.April 2004
- Deviations:
- yes
- Remarks:
- Due to the result of the pretest all data was obtained from a stock solution in water instead of octanol. which is a deviation from the OECD guideline. This is considered as uncritical concerning the outcome of the study.
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 1-ethyl-3-methyl-1H-imidazol-3-ium; trifluoro[(trifluoromethanesulfonylazanidyl)sulfonyl]methane
- EC Number:
- 700-235-5
- Cas Number:
- 174899-82-2
- Molecular formula:
- C8H11F6N3O4S2
- IUPAC Name:
- 1-ethyl-3-methyl-1H-imidazol-3-ium; trifluoro[(trifluoromethanesulfonylazanidyl)sulfonyl]methane
- Test material form:
- liquid
- Details on test material:
- clear liquid, colorless
Constituent 1
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: proionic GmbH; 25PI208_12
- Expiration date of the lot/batch: May 2019
- Purity test date: 99.84 wt% (HPLC); 99.95 wt% (IC)
STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: room temperature
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= -0.73 - <= -0.65
- Temp.:
- 25 °C
- pH:
- 6.1
Any other information on results incl. tables
Table 1 summarizes the measured peak areas and the calculated partition coefficients.
Sample |
Stock |
ratio |
area EMIM+[mAU*min] |
POW |
log POW |
||
n-octanol |
water |
||||||
stock water |
|
|
|
166,567 |
|
|
|
1a |
water |
1:1 |
29.038 |
130.274 |
0.223 |
-0.652 |
|
1b |
water |
1:1 |
27.460 |
132.213 |
0.208 |
-0.683 |
|
2a |
water |
1:2 |
31.369 |
147.864 |
0.212 |
-0.673 |
|
2b |
water |
1:2 |
31.715 |
147.951 |
0.214 |
-0.669 |
|
3a |
water |
2:1 |
21.523 |
118.016 |
0.182 |
-0.739 |
|
3b |
water |
2:1 |
21.829 |
118.107 |
0.185 |
-0.733 |
|
|
mean value |
|
27.156 |
132.404 |
0.204 |
-0.690 |
|
|
standard deviation |
|
4.523 |
13.392 |
0.017 |
0.036 |
|
Applicant's summary and conclusion
- Executive summary:
The partition coefficient for1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imideat 25°C was determined to be log Pow= -0.69 ± 0.04.
The pH of the aqueous phase was 6.1.
This indicates a hydrophilic behavior.
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