3-Octen-2-one

• CAS: 1669-44-9
• Catalog Number: ACM1669449
• Category: Other Products
• Molecular Weight: 126.2
• Molecular Formula: C₈H₁₄O
• Synonyms: Hex-1-enyl methyl ketone
• IUPAC Name: (E)-Oct-3-en-2-one
• Canonical SMILES: CCCCC=CC(=O)C
• InChI: InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3/b7-6+
• InChI Key: ZCFOBLITZWHNNC-VOTSOKGWSA-N
• Boiling Point: 100 °C
• Melting Point: -66.9 °C
• Flash Point: 130 °F
• Density: 0.857 g/mL at 25 °C(lit.)
• Solubility: Insoluble in water; soluble in oil
• Exact Mass: 126.104465066
• Isomeric SMILES: CCCC/C=C/C(=O)C
• Monoisotopic Mass: 126.104465066
• Physical State: Liquid
• Refractive Index: n20/D 1.448(lit.)
• Topological Polar Surface Area: 17.1 Ų