(1R,4R,6aS)-4-Methoxy-1-methyl-1-vinyl-4,5,6,6a-tetrahydro-2(1H)-pentalenone
[CAS# 628317-39-5]

Identification

• Name: (1R,4R,6aS)-4-Methoxy-1-methyl-1-vinyl-4,5,6,6a-tetrahydro-2(1H)-pentalenone
• Synonyms: (1R,4R,6aS)-4-methoxy-1-methyl-1-vinyl-4,5,6,6a-tetrahydropentalen-2(1H)-one
• Molecular Formula: C₁₂H₁₆O₂
• Molecular Weight: 192.25
• CAS Registry Number: 628317-39-5
• SMILES: C[C@]1([C@H]2CC[C@H](C2=CC1=O)OC)C=C
• InChI: 1S/C12H16O2/c1-4-12(2)9-5-6-10(14-3)8(9)7-11(12)13/h4,7,9-10H,1,5-6H2,2-3H3/t9-,10+,12+/m0/s1
• InChIKey: NUZHKANIZYBYDB-HOSYDEDBSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 295.2±39.0°C at 760 mmHg (Cal.)
• Flash point: 125.9±20.6°C (Cal.)
• Refractive index: 1.511 (Cal.)