5-Methyl-2-hepten-4-one

• CAS: 81925-81-7
• Catalog Number: ACM81925817
• Category: Other Products
• Molecular Weight: 126.2
• Molecular Formula: C8H14O
• Synonyms: Filbert heptenone
• IUPAC Name: (E)-5-Methylhept-2-en-4-one
• Canonical SMILES: CCC(C)C(=O)C=CC
• InChI: InChI=1S/C8H14O/c1-4-6-8(9)7(3)5-2/h4,6-7H,5H2,1-3H3/b6-4+
• InChI Key: ARJWAURHQDJJAC-GQCTYLIASA-N
• Boiling Point: 170 °C
• Melting Point: -66.9 °C
• Flash Point: 126 °F
• Density: 0.845 g/mL at 25 °C(lit.)
• Solubility: Slightly soluble in water; soluble in oils
• Assay: 0.99
• Exact Mass: 126.104465066
• Isomeric SMILES: CCC(C)C(=O)/C=C/C
• Monoisotopic Mass: 126.104465066
• Packaging: 25 kg/DRUMS
• Physical State: Liquid
• Refractive Index: n20/D 1.444(lit.)
• Topological Polar Surface Area: 17.1 Ų