(1S,6S)-1-Methyl-4-Propan-2-Ylidene-7-Oxabicyclo[4.1.0]Heptan-5-One
[CAS# 3564-96-3]

Identification

• Name: (1S,6S)-1-Methyl-4-Propan-2-Ylidene-7-Oxabicyclo[4.1.0]Heptan-5-One
• Synonyms: (1S,6S)-4-Isopropylidene-1-Methyl-7-Oxabicyclo[4.1.0]Heptan-5-One; C09896; Rotundifolone
• Molecular Formula: C₁₀H₁₄O₂
• Molecular Weight: 166.22
• CAS Registry Number: 3564-96-3
• SMILES: [C@H]12O[C@]1(CCC(C2=O)=C(C)C)C
• InChI: 1S/C10H14O2/c1-6(2)7-4-5-10(3)9(12-10)8(7)11/h9H,4-5H2,1-3H3/t9-,10+/m1/s1
• InChIKey: AKASWINDKIEEBO-ZJUUUORDSA-N

Properties

• Density: 1.113g/cm³ (Cal.)
• Boiling point: 255.259°C at 760 mmHg (Cal.)
• Flash point: 107.339°C (Cal.)