Description

Ethanol, 2,2,2-trifluoro-1-methoxy- (CAS No. 431-46-9), also known as Trifluoroacetaldehyde methyl hemiacetal, is a highly specialized fluorinated organic compound with the molecular formula C₃H₅F₃O₂. This technical-grade chemical is widely utilized in synthetic organic chemistry, pharmaceutical research, and advanced material science due to its unique trifluoromethyl and methoxy functional groups. The compound is supplied as a clear, colorless liquid with a purity suitable for laboratory and industrial applications. Its reactivity as a hemiacetal makes it a valuable intermediate for the synthesis of fluorinated aldehydes, ketones, and other fine chemicals. Proper storage under inert conditions is recommended to maintain stability.

Key Features:

• CAS: 431-46-9 | Molecular Weight: 130.07 g/mol
• Boiling Point: ~100-102°C | Density: ~1.25 g/cm³
• Technical grade (contains ~10% methanol as stabilizer)
• Compatible with anhydrous reactions and Grignard reagents
• Packaged in amber glass bottles or sealed drums under nitrogen

Properties

• CAS Number: 431-46-9
• Complexity: 69.4
• IUPAC Name: 2,2,2-trifluoro-1-methoxy-ethanol
• InChI: InChI=1S/C3H5F3O2/c1-8-2(7)3(4,5)6/h2,7H,1H3
• InChI Key: GWTBCUWZAVMAQV-UHFFFAOYSA-N
• Exact Mass: 130.02416388
• Molecular Formula: C3H5F3O2
• Molecular Weight: 130.07
• SMILES: COC(C(F)(F)F)O
• Topological: 29.5
• Monoisotopic Mass: 130.02416388
• Synonyms: Trifluoroacetaldehyde methyl hemiacetal, 431-46-9, 2,2,2-Trifluoro-1-methoxyethanol, Fluoral methyl hemiacetal, 1-Methoxy-2,2,2-trifluoroethanol, Ethanol, 2,2,2-trifluoro-1-methoxy-, EINECS 207-072-4, BRN 1737758, GWTBCUWZAVMAQV-UHFFFAOYSA-, ETHANOL, 1-METHOXY-2,2,2-TRIFLUORO-, DTXSID30883383, DTXCID201022918, 207-072-4, inchi=1/c3h5f3o2/c1-8-2(7)3(4,5)6/h2,7h,1h3, MFCD00013572, Trifluoroacetaldehyde methyl hemiacetal, tech., Trifluoroacetaldehyde methyl hemiacetal, tech grade, 2,2,2-trifluoro-1-methoxyethan-1-ol, Trifluoroacetaldehyde Methyl Hemiacetal (contains ca. 10% Methanol), TRIFLUOROACETALDEHYDEMETHYLHEMIACETAL, Trifluoroacetaldehyde methyl hemiacetal (tech.), CF3CH(OCH3)OH, CF3CH(OH)OCH3, SCHEMBL501205, SCHEMBL2335779, 2,2,2-trifluoro-1-methoxy-ethanol, trifluoroacetaldehyde methylhemiacetal, SBB085750, AKOS005206787, Perfluoroacetaldehyde Methyl Hemiacetal, FT84725, SB83891, trifluoroacetaldehyde methyl hemi-acetal, MS-20238, SY048821, DB-051039, NS00043401, T3247, EN300-179568, F72236, Trifluoroacetaldehyde methyl hemiacetal, AldrichCPR

Ethanol, 2,2,2-trifluoro-1-methoxy- serves as a versatile building block for introducing trifluoromethyl groups in pharmaceutical intermediates and agrochemicals. It is particularly valuable in the synthesis of fluorinated heterocycles and as a precursor for trifluoroacetaldehyde derivatives. Researchers employ this compound in nucleophilic addition reactions and as a chiral auxiliary in asymmetric synthesis. Its stability as a hemiacetal form allows safer handling compared to gaseous trifluoroacetaldehyde.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H302 (90%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (40%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (30%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (40%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (30%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H370 (10%): Causes damage to organs [Danger Specific target organ toxicity, single exposure]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P308+P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)
• Acute Tox. 4 (90%)
• Acute Tox. 4 (40%)
• Skin Irrit. 2 (20%)
• Eye Irrit. 2 (30%)
• Acute Tox. 4 (40%)
• STOT SE 3 (30%)
• STOT SE 1 (10%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.