(1R,4R,6aR)-4-Methoxy-1-[(1E)-1-propen-1-yl]-4,5,6,6a-tetrahydro-2(1H)-pentalenone
[CAS# 628317-36-2]

Identification

• Name: (1R,4R,6aR)-4-Methoxy-1-[(1E)-1-propen-1-yl]-4,5,6,6a-tetrahydro-2(1H)-pentalenone
• Synonyms: (1R,4R,6aR)-4-methoxy-1-((E)-prop-1-en-1-yl)-4,5,6,6a-tetrahydropentalen-2(1H)-one
• Molecular Formula: C₁₂H₁₆O₂
• Molecular Weight: 192.25
• CAS Registry Number: 628317-36-2
• SMILES: C/C=C/[C@@H]1[C@H]2CC[C@H](C2=CC1=O)OC
• InChI: 1S/C12H16O2/c1-3-4-9-8-5-6-12(14-2)10(8)7-11(9)13/h3-4,7-9,12H,5-6H2,1-2H3/b4-3+/t8-,9-,12-/m1/s1
• InChIKey: NQMDWNPQNYIZMP-YXYJVDQVSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 311.6±41.0°C at 760 mmHg (Cal.)
• Flash point: 137.5±21.2°C (Cal.)
• Refractive index: 1.518 (Cal.)