3-Methylhepten-5-one (Mixture of Double Bond Isomers)

CAS: 1190-34-7, 1447-26-3, 20690-70-4

Ref. TR-M312375

Product Information

• Name: 3-Methylhepten-5-one (Mixture of Double Bond Isomers)
• Synonyms: (E)-5-methylhept-4-en-3-one;(E)-5-methylhept-5-en-3-one;5-methylideneheptan-3-one
• Brand: TRC
• Description: Applications 3-Methylhepten-5-one is a reagent used to prepare fused nitrogen-heterocycles from β-enamino nitrile and α,β-unsaturated carbonyl compounds. Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the packageReferences Nemes, P., et al.: Synlett., 2, 222 (1999)

Chemical properties

• Molecular weight: 378.589
• Formula: C₈H₁₄O
• Color/Form: Neat
• InChI: InChI=1S/3C8H14O/c3*1-4-7(3)6-8(9)5-2/h6H,4-5H2,1-3H3;4H,5-6H2,1-3H3;3-6H2,1-2H3/b7-6+;7-4+
• InChI key: InChIKey=NSJKOTBYFMSZJJ-KXPZSZEXSA-N
• SMILES: C/C=C(\C)CC(=O)CC.C=C(CC)CC(=O)CC.CCC(=O)/C=C(\C)CC