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EC number: 801-277-8 | CAS number: 507448-65-9
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 000
- Report date:
- 2000
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
Test material
- Reference substance name:
- ethyl (2Z)-4,4,4-trifluoro-3-(methylamino)but-2-enoate
- EC Number:
- 801-277-8
- Cas Number:
- 507448-65-9
- Molecular formula:
- C7H10F3NO2
- IUPAC Name:
- ethyl (2Z)-4,4,4-trifluoro-3-(methylamino)but-2-enoate
Constituent 1
Results and discussion
Water solubilityopen allclose all
- Water solubility:
- ca. 330 mg/L
- Temp.:
- 25 °C
- pH:
- ca. 8.5
- Remarks on result:
- other: pure water
- Water solubility:
- ca. 80 mg/L
- Temp.:
- 25 °C
- pH:
- ca. 5.9
- Remarks on result:
- other: buffer solution
- Water solubility:
- ca. 190 mg/L
- Temp.:
- 25 °C
- pH:
- ca. 7.6
- Remarks on result:
- other: buffer solution
- Water solubility:
- ca. 260 mg/L
- Temp.:
- 25 °C
- pH:
- ca. 9
- Remarks on result:
- other: buffer solution
Any other information on results incl. tables
Experimental data and results for pure water
Sample Number |
W1 |
W3 |
W5 |
W2 |
W4 |
W6 |
Amount of test substance (g) dispersed in 30ml of pure water |
0.1034 |
0.1075 |
0.1041 |
0.1044 |
0.1069 |
0.1066 |
Number of days at 30.0°C |
3 |
2 |
1 |
3 |
2 |
1 |
Number of days at 25.0°C |
1 |
1 |
1 |
1 |
1 |
1 |
Centrifugation (40 min): (G) |
30000 |
30000 |
30000 |
50000 |
50000 |
50000 |
pH of aqueous solution |
8.52 |
8.53 |
8.51 |
8.56 |
8.55 |
8.47 |
Average pH of aqueous solutions |
8.5 |
|||||
Water solubility (mg/L) 1stdetermination 2nddetermination
Average |
323.142 327.254
325.198 |
333.477 336.472
334.975 |
322.630 322.911
322.771 |
331.398 334.244
332.821 |
315.196 313.716
314.456 |
355.750 360.097
357.924 |
Average |
327.648 |
335.067 |
||||
Relative Standard Deviation (%) |
1.83 |
5.85 |
||||
Water solubility Total Average (mg/L) Relative Standard Deviation (%) |
330
4.3 |
|||||
Experimental data and results for Buffer Solution pH 5.0
Sample Number |
W56 |
W56 |
W57 |
Amount of test substance (g) dispersed in 15ml of solvent |
0.2605 |
0.2556 |
0.2417 |
Number of days at 30.0°C |
45 |
22 |
14 |
Number of days at 25.0°C |
1 |
1 |
1 |
Centrifugation (40 min): (G) |
50000 |
50000 |
50000 |
pH of aqueous solution |
6.01 |
5.98 |
5.82 |
Average |
5.9 |
||
Water solubility (mg/L) 1stdetermination 2nddetermination
Average |
87.637 88.025
87.831 |
80.073 80.130
80.102 |
71.821 71.891
71.856 |
Total Average (mg/l) |
80 |
||
Relative Standard Deviation (%) |
8.9 |
||
Experimental data and results for Buffer Solution pH 7.0
Sample Number |
W71 |
W72 |
W73 |
Amount of test substance (g) dispersed in 15ml of solvent |
0.2912 |
0.2612 |
0.2510 |
Number of days at 30.0°C |
3 |
2 |
1 |
Number of days at 25.0°C |
1 |
1 |
1 |
Centrifugation (40 min): (G) |
50000 |
50000 |
50000 |
pH of aqueous solution |
7.68 |
7.62 |
7.52 |
Average |
7.6 |
||
Water solubility (mg/L) 1stdetermination 2nddetermination
Average |
87.637 88.025
87.831 |
80.073 80.130
80.102 |
71.821 71.891
71.856 |
Total Average (mg/l) |
190 |
||
Relative Standard Deviation (%) |
2.3 |
||
Experimental data and results for Buffer Solution pH 9.0
Sample Number |
W91 |
W92 |
W93 |
Amount of test substance (g) dispersed in 15ml of solvent |
0.2800 |
0.2519 |
0.1981 |
Number of days at 30.0°C |
3 |
2 |
1 |
Number of days at 25.0°C |
1 |
1 |
1 |
Centrifugation (40 min): (G) |
50000 |
50000 |
50000 |
pH of aqueous solution |
9.04 |
9.04 |
9.05 |
Average |
9.0 |
||
Water solubility (mg/L) 1stdetermination 2nddetermination
Average |
285.264 259.055
258.660 |
279.162 280.043
279.603 |
252.732 252.419
252.576 |
Total Average (mg/l) |
260 |
||
Relative Standard Deviation (%) |
4.8 |
||
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information): moderately soluble (100-1000 mg/L)
The solubility of CA 2455 has been determined in pure water and in different aqueous buffer solutions.
Pure water 330 mg/ pH 8.5
Buffer solution 80 mg/l pH 5.9
Buffer solution 190 mg/l pH 7.6
Buffer solution 260 mg/l pH 9.0
The results have been quoted correct to two significant figures. - Executive summary:
The solubility of CA 2455 has been determined in pure water and in different aqueous buffer solutions.
Pure water 330 mg/ pH 8.5
Buffer solution 80 mg/l pH 5.9
Buffer solution 190 mg/l pH 7.6
Buffer solution 260 mg/l pH 9.0
The results have been quoted correct to two significant figures.
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