Description

3-Hexen-2-one (CAS: 763-93-9) is a highly versatile organic compound with the molecular formula C₆H₁₀O. This unsaturated ketone features a six-carbon chain with a double bond at the 3-position and a carbonyl group at the 2-position, making it a valuable intermediate in synthetic organic chemistry. Available in high purity (>90%), it is widely used in flavor and fragrance formulations, pharmaceuticals, and agrochemical research. Its distinct green, fruity odor makes it particularly useful in perfumery and food flavoring. Packaged under inert gas to ensure stability, this compound is ideal for laboratory and industrial applications requiring precise chemical synthesis.

Properties

• CAS Number: 763-93-9
• Complexity: 82.2
• IUPAC Name: (E)-hex-3-en-2-one
• InChI: InChI=1S/C6H10O/c1-3-4-5-6(2)7/h4-5H,3H2,1-2H3/b5-4+
• InChI Key: LPCWMYHBLXLJJQ-SNAWJCMRSA-N
• Exact Mass: 98.073164938
• Molecular Formula: C6H10O
• Molecular Weight: 98.14
• SMILES: CC/C=C/C(=O)C
• Topological: 17.1
• Monoisotopic Mass: 98.073164938
• Synonyms: 3-HEXEN-2-ONE, (E)-hex-3-en-2-one, 763-93-9, 1-Butenyl methyl ketone, Methyl 1-butenyl ketone, 3-hexene-2-one, 3-hexen-2-on, hex-3-en-5-one, Hex-3-en-2-on, methyl-alpha-butenyl-ketone, CHEBI:141566, DTXSID801015852, 1Butenyl methyl ketone, DTXCID60910994, hex-3-en-2-one, 4376-23-2, (3E)-3-Hexen-2-one, 3-hexen-2-one(E), (E)-3-hexen-2-one, (3e)-3-hexene-2-one, 3E-Hexene-2-one, 215457-81-1, (3E)-hex-3-en-2-one, trans-hexen-2-al, trans-3-hexen-2-one, trans-hex-3-en-2-one, 5A3B3N6UGZ, SCHEMBL319621, 3-Hexen-2-one, (3E)-, SCHEMBL22639089, LMFA12000019, AKOS015915359, (3E)-3-Hexen-2-one (>90%), F73085, EN300-1828247

3-Hexen-2-one is primarily used as a flavor and fragrance additive, imparting a fresh, green note to perfumes and food products. In pharmaceuticals, it serves as a building block for synthesizing bioactive molecules. Researchers also employ it in agrochemical studies to develop novel pesticides and herbicides. Its reactivity as an α,β-unsaturated ketone makes it valuable in Michael addition and other organic transformations.

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