(1R)-2,3,3aalpha,7,8,8aalpha-Hexahydro-1alpha-Hydroxy-1,4-Dimethyl-7-(1-Methylethylidene)Azulen-6(1H)-One
[CAS# 21698-40-8]

Identification

• Name: (1R)-2,3,3aalpha,7,8,8aalpha-Hexahydro-1alpha-Hydroxy-1,4-Dimethyl-7-(1-Methylethylidene)Azulen-6(1H)-One
• Synonyms: (3S,3As,8Ar)-3-Hydroxy-5-Isopropylidene-3,8-Dimethyl-2,3A,4,8A-Tetrahydro-1H-Azulen-6-One
• Molecular Formula: C₁₅H₂₂O₂
• Molecular Weight: 234.34
• CAS Registry Number: 21698-40-8
• SMILES: [C@H]12CC(C(C=C(C)[C@@H]1CC[C@@]2(O)C)=O)=C(C)C
• InChI: 1S/C15H22O2/c1-9(2)12-8-13-11(5-6-15(13,4)17)10(3)7-14(12)16/h7,11,13,17H,5-6,8H2,1-4H3/t11-,13-,15-/m0/s1
• InChIKey: RHBOHEXDGUVIIY-WHOFXGATSA-N

Properties

• Density: 1.048g/cm³ (Cal.)
• Boiling point: 360.117°C at 760 mmHg (Cal.)
• Flash point: 153.585°C (Cal.)