(1R,4E,5S)-4-Ethylidene-1,8,8-trimethyl-2-oxabicyclo[3.2.1]octan-3-one
[CAS# 798554-34-4]

Identification

• Name: (1R,4E,5S)-4-Ethylidene-1,8,8-trimethyl-2-oxabicyclo[3.2.1]octan-3-one
• Synonyms: (1R,5S,E)-4-ethylidene-1,8,8-trimethyl-2-oxabicyclo[3.2.1]octan-3-one
• Molecular Formula: C₁₂H₁₈O₂
• Molecular Weight: 194.27
• CAS Registry Number: 798554-34-4
• SMILES: C/C=C/1\[C@H]2CC[C@](C2(C)C)(OC1=O)C
• InChI: 1S/C12H18O2/c1-5-8-9-6-7-12(4,11(9,2)3)14-10(8)13/h5,9H,6-7H2,1-4H3/b8-5+/t9-,12-/m1/s1
• InChIKey: OLRUQJLTFXSSQO-GAVOXZQTSA-N

Properties

• Density: 1.074g/cm³ (Cal.)
• Boiling point: 293.209°C at 760 mmHg (Cal.)
• Flash point: 118.845°C (Cal.)
• Refractive index: 1.542 (Cal.)