(5S,6E)-8-Methyl-5-(1-Methylethyl)-6,8-Nonadien-2-One
[CAS# 1937-54-8]

Identification

• Name: (5S,6E)-8-Methyl-5-(1-Methylethyl)-6,8-Nonadien-2-One
• Synonyms: (5S,6E)-5-Isopropyl-8-Methyl-Nona-6,8-Dien-2-One; (5S,6E)-5-Isopropyl-8-Methylnona-6,8-Dien-2-One; (5S,6E)-8-Methyl-5-Propan-2-Yl-Nona-6,8-Dien-2-One
• Molecular Formula: C₁₃H₂₂O
• Molecular Weight: 194.32
• CAS Registry Number: 1937-54-8
• SMILES: [C@H](/C=C/C(=C)C)(CCC(=O)C)C(C)C
• InChI: 1S/C13H22O/c1-10(2)6-8-13(11(3)4)9-7-12(5)14/h6,8,11,13H,1,7,9H2,2-5H3/b8-6+/t13-/m0/s1
• InChIKey: PQDRXUSSKFWCFA-CFNZNRNTSA-N

Properties

• Density: 0.8±0.1g/cm³ (Cal.)
• Boiling point: 269.0±19.0°C at 760 mmHg (Cal.)
• Flash point: 96.3±8.4°C (Cal.)