(3E,7E)-3,7-Dimethyl-13-Oxabicyclo[9.2.1]Tetradeca-3,7,11(14)-Trien-12-One
[CAS# 136315-17-8]

Identification

• Name: (3E,7E)-3,7-Dimethyl-13-Oxabicyclo[9.2.1]Tetradeca-3,7,11(14)-Trien-12-One
• Synonyms: 12-Oxabicyclo(9.2.1)Tetradeca-1(14),4,8-Trien-13-One, 5,9-Dimethyl-, (E,E)-; Neo-Aristolactone; Neoaristolacton
• Molecular Formula: C₁₅H₂₀O₂
• Molecular Weight: 232.32
• CAS Registry Number: 136315-17-8
• SMILES: C\C2=C/CCC(=C/CCC1=CC(OC1=O)C2)/C
• InChI: 1S/C15H20O2/c1-11-5-3-7-12(2)9-14-10-13(8-4-6-11)15(16)17-14/h6-7,10,14H,3-5,8-9H2,1-2H3/b11-6+,12-7+
• InChIKey: JOQILOMKLDOWGX-GNXRPPCSSA-N

Properties

• Density: 1.047g/cm³ (Cal.)
• Boiling point: 410.962°C at 760 mmHg (Cal.)
• Flash point: 173.421°C (Cal.)