2,2,2-Trifluoroethanol
SIAL/18370 - suitable for mass spectrometry (MS), LiChropur™, ≥99.8% (GC)
Synonym: Trifluoroethyl alcohol
CAS Number: 75-89-8
Empirical Formula (Hill Notation): C2H3F3O
Molecular Weight: 100.04
EC Number: 200-913-6
MDL Number: MFCD00004672
Linear Formula: CF3CH2OH
Product Type: Chemical
| assay | ≥99.8% (GC) |
| autoignition temp. | ~896 °F |
| bp | 77-80 °C (lit.) |
| cation traces | Al: ≤0.5 mg/kg |
| Ba: ≤0.1 mg/kg | |
| Bi: ≤0.1 mg/kg | |
| Ca: ≤0.5 mg/kg | |
| Cd: ≤0.05 mg/kg | |
| Co: ≤0.02 mg/kg | |
| Cr: ≤0.02 mg/kg | |
| Cu: ≤0.02 mg/kg | |
| Fe: ≤0.1 mg/kg | |
| K: ≤0.5 mg/kg | |
| Li: ≤0.1 mg/kg | |
| Mg: ≤0.1 mg/kg | |
| Mn: ≤0.02 mg/kg | |
| Mo: ≤0.1 mg/kg | |
| Na: ≤1 mg/kg | |
| Ni: ≤0.02 mg/kg | |
| Pb: ≤0.1 mg/kg | |
| Sr: ≤0.1 mg/kg | |
| Zn: ≤0.1 mg/kg | |
| density | 1.373 g/mL at 25 °C (lit.) |
| 1.390-1.392 g/mL at 20 °C | |
| expl. lim. | 42 % |
| form | liquid |
| InChI | 1S/C2H3F3O/c3-2(4,5)1-6/h |
| InChI key | RHQDFWAXVIIEBN-UHFFFAOYSA |
| manufacturer/tradename | LiChropur™ |
| mp | −44 °C (lit.) |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | OCC(F)(F)F |
| suitability | complies for LC-MS |
| technique(s) | HPLC: suitable |
| mass spectrometry (MS): suitable | |
| vapor density | 3.5 (vs air) |
| vapor pressure | 70 mmHg ( 25 °C) |
| Application: | 2,2,2-Trifluoroethanol may be used as a solvent in the development of a sample preparation method for the detection of high-mass proteins in tissue samples using matrix-assisted laser desorption/ionization mass spectrometry technique. It may also be used as a mobile phase modifier for the analysis and purification of alcohol-sensitive chiral compounds using supercritical fluid chromatography (SFC) technique. |
| General description: | • 2,2,2-Trifluoroethanol is commonly used as a mobile phase additive in liquid chromatography-mass spectrometry (LC-MS). Features: • Extensive QC testing ensures the highest specifications.,· • Optimized to improve ionization and resolution. • Extremely low levels of inorganic and organic impurities. • Manufactured specifically for accurate and fast LC-MS. |
| Legal Information: | LiChropur is a trademark of Merck KGaA, Darmstadt, Germany |
| Packaging: | Clear borosilicate glass, high hydrolytic resistance (Type I) |
| Symbol |     GHS02,GHS05,GHS06,GHS08 |
| Signal word | Danger |
| Hazard statements | H226 - H301 + H331 - H318 - H360F - H373 |
| Precautionary statements | P201 - P210 - P260 - P280 - P301 + P310 + P330 - P305 + P351 + P338 + P310 |
| RIDADR | UN 1986 6.1(3) / PGIII |
| WGK Germany | WGK 1 |
| Flash Point(F) | 86.0 °F - closed cup |
| Flash Point(C) | 30 °C - closed cup |
| Purity | ≥99.8% (GC) |
| bp | 77-80 °C (lit.) |
| mp | −44 °C (lit.) |
| Density | 1.390-1.392 g/mL at 20 °C; 1.373 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 41116105 |