Description

(3E)-4-Ethoxy-1,1,1-trifluoro-3-buten-2-one (CAS: 59938-06-6) is a high-purity fluorinated organic compound with the molecular formula C₆H₇F₃O₂. This versatile chemical is stabilized with BHT (Butylated Hydroxytoluene) to ensure shelf stability and optimal performance in synthetic applications. It features a reactive enone moiety with an ethoxyvinyl group, making it a valuable intermediate for nucleophilic additions, cycloadditions, and other advanced organic transformations. Suitable for research and industrial use, this compound is rigorously tested for purity and consistency, meeting the stringent demands of pharmaceutical, agrochemical, and materials science applications. Available in technical grade with detailed analytical certificates (GC, NMR, MS) upon request.

Properties

• CAS Number: 59938-06-6
• Complexity: 160
• IUPAC Name: (E)-4-ethoxy-1,1,1-trifluoro-but-3-en-2-one
• InChI: InChI=1S/C6H7F3O2/c1-2-11-4-3-5(10)6(7,8)9/h3-4H,2H2,1H3/b4-3+
• InChI Key: YKYIFUROKBDHCY-ONEGZZNKSA-N
• Exact Mass: 168.03981395
• Molecular Formula: C6H7F3O2
• Molecular Weight: 168.11
• SMILES: CCO/C=C/C(=O)C(F)(F)F
• Topological: 26.3
• Monoisotopic Mass: 168.03981395
• Physical Description: Liquid
• Synonyms: (3E)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one, 3-Buten-2-one, 4-ethoxy-1,1,1-trifluoro-, (3E)-, DTXSID801033246, (3E)-4-ethoxy-1,1,1-trifluoro-3-buten-2-one, (e)-4-ethoxy-1,1,1-trifluoro-3-buten-2-one (stabilized with bht), DTXCID60371622, 475-900-3, 858-371-7, (E)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one, 59938-06-6, 4-ethoxy-1,1,1-trifluorobut-3-en-2-one, (E)-4-ethoxy-1,1,1-trifluoro-3-buten-2-one, MFCD00192131, ETFBO, 2-(Trifluoroacetyl)vinyl Ethyl Ether; 2-Ethoxyvinyl Trifluoromethyl Ketone; 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one, (3Z)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one, SCHEMBL71609, 294SL62B6H, BBL104347, FD2031, SBB015071, STK400141, AKOS000311498, AKOS025149133, beta-ethoxyvinyl trifluoromethyl ketone, CS-W007845, CS-17325, ST075442, CS-0198018, E1088, NS00077866, EN300-03906, EN300-49157, 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one, (3E)-, 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one, tech grade, 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one, contains 0.5% BHT as stabilizer, technical grade, InChI=1/C6H7F3O2/c1-2-11-4-3-5(10)6(7,8)9/h3-4H,2H2,1H3/b4-3

(3E)-4-Ethoxy-1,1,1-trifluoro-3-buten-2-one is widely used as a building block in the synthesis of fluorinated heterocycles and bioactive molecules. Its trifluoromethyl ketone group enables participation in Michael additions and Diels-Alder reactions, facilitating the creation of complex scaffolds. Researchers employ this compound in medicinal chemistry for developing enzyme inhibitors and receptor modulators due to its electron-withdrawing properties. It also serves as a precursor for specialty polymers and coatings with enhanced thermal and chemical resistance.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
• H372 (100%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
• H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)
• Acute Tox. 4 (100%)
• Skin Corr. 1 (50%)
• Skin Irrit. 2 (50%)
• Skin Sens. 1 (100%)
• Eye Dam. 1 (50%)
• Eye Irrit. 2 (50%)
• Acute Tox. 1 (100%)
• STOT RE 1 (100%)
• Aquatic Chronic 3 (100%)

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