Acetyl diisoamylene

• CAS: 81786-73-4
• Catalog Number: ACM81786734
• Category: Other Products
• Molecular Weight: 182.3
• Molecular Formula: C₁₂H₂₂O
• Synonyms: Mulantone (koavone)
• IUPAC Name: (Z)-3,4,5,6,6-Pentamethylhept-3-en-2-one
• Canonical SMILES: CC(C(=C(C)C(=O)C)C)C(C)(C)C
• InChI: InChI=1S/C12H22O/c1-8(9(2)11(4)13)10(3)12(5,6)7/h10H,1-7H3/b9-8-
• InChI Key: IXIYWQIFBRZMNR-HJWRWDBZSA-N
• Boiling Point: 246 °C
• Flash Point: 100 °C
• Density: 0.838 g/mL at 20 °C(lit.)
• Exact Mass: 182.167065321
• Isomeric SMILES: CC(/C(=C(/C)\C(=O)C)/C)C(C)(C)C
• Monoisotopic Mass: 182.167065321
• Physical State: Liquid
• Refractive Index: n20/D 1.453-1.458(lit.)
• Topological Polar Surface Area: 17.1 Ų