Isobutyl Ionone
[CAS# 70092-23-8]

Identification

• Name: Isobutyl Ionone
• Synonyms: 1-Hexen-3-One, 5-Methyl-1-(2,6,6-Trimethyl-2-Cyclohexen-1-Yl)-; 5-Methyl-1-(2,6,6-Trimethylcyclohex-2-En-1-Yl)Hex-1-En-3-One; 6-(2,6,6-Trimethyl-2-Cyclohexen-1-Yl)-2-Methyl-5-Hexen-4-One
• Molecular Formula: C₁₆H₂₆O
• Molecular Weight: 234.38
• CAS Registry Number: 70092-23-8
• EINECS: 274-309-6
• SMILES: C(C(/C=C/C1C(CCC=C1C)(C)C)=O)C(C)C
• InChI: 1S/C16H26O/c1-12(2)11-14(17)8-9-15-13(3)7-6-10-16(15,4)5/h7-9,12,15H,6,10-11H2,1-5H3/b9-8+
• InChIKey: QLDFUXZWCMSFEO-CMDGGOBGSA-N

Properties

• Density: 0.917g/cm³ (Cal.)
• Boiling point: 314.464°C at 760 mmHg (Cal.)
• Flash point: 138.138°C (Cal.)