(3R,6S,8aR)-3-Methoxy-6-methyl-2,3,6,8a-tetrahydro-5(1H)-azulenone
[CAS# 628317-28-2]

Identification

• Name: (3R,6S,8aR)-3-Methoxy-6-methyl-2,3,6,8a-tetrahydro-5(1H)-azulenone
• Synonyms: (3R,6S,8aR)-3-methoxy-6-methyl-1,2,3,8a-tetrahydroazulen-5(6H)-one
• Molecular Formula: C₁₂H₁₆O₂
• Molecular Weight: 192.25
• CAS Registry Number: 628317-28-2
• SMILES: C[C@H]1C=C[C@H]2CC[C@H](C2=CC1=O)OC
• InChI: 1S/C12H16O2/c1-8-3-4-9-5-6-12(14-2)10(9)7-11(8)13/h3-4,7-9,12H,5-6H2,1-2H3/t8-,9-,12+/m0/s1
• InChIKey: VSQWPORWJAWJHJ-HOTUBEGUSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 315.2±31.0°C at 760 mmHg (Cal.)
• Flash point: 140.0±18.4°C (Cal.)
• Refractive index: 1.518 (Cal.)