(3aR,4R,8aS)-4-Methyl-1,2,3,3a,4,5,6,8a-octahydro-4-azulenyl acetate
[CAS# 776334-93-1]

Identification

• Name: (3aR,4R,8aS)-4-Methyl-1,2,3,3a,4,5,6,8a-octahydro-4-azulenyl acetate
• Synonyms: (3aR,4R,8aS)-4-methyl-1,2,3,3a,4,5,6,8a-octahydroazulen-4-yl acetate
• Molecular Formula: C₁₃H₂₀O₂
• Molecular Weight: 208.30
• CAS Registry Number: 776334-93-1
• SMILES: CC(=O)O[C@@]1(CCC=C[C@H]2[C@H]1CCC2)C
• InChI: 1S/C13H20O2/c1-10(14)15-13(2)9-4-3-6-11-7-5-8-12(11)13/h3,6,11-12H,4-5,7-9H2,1-2H3/t11-,12-,13-/m1/s1
• InChIKey: ZHIQORHUAPPOQJ-JHJVBQTASA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 266.7±29.0°C at 760 mmHg (Cal.)
• Flash point: 107.0±11.8°C (Cal.)
• Refractive index: 1.499 (Cal.)