(3S,3aS,5R)-3,8-Dimethyl-5-Prop-1-En-2-Yl-1,2,3,3a,4,5,6,7-Octahydroazulene
[CAS# 3691-11-0]

Identification

• Name: (3S,3aS,5R)-3,8-Dimethyl-5-Prop-1-En-2-Yl-1,2,3,3a,4,5,6,7-Octahydroazulene
• Synonyms: (3S,3As,5R)-5-Isopropenyl-3,8-Dimethyl-1,2,3,3A,4,5,6,7-Octahydroazulene; Azulene, 1,2,3,5,6,7,8,8A-Octahydro-1,4-Dimethyl-7-(1-Methylethenyl)-, (1S-(1Alpha,4Alpha,7Alpha))-
• Molecular Formula: C₁₅H₂₄
• Molecular Weight: 204.35
• CAS Registry Number: 3691-11-0
• SMILES: [C@H]12C(=C(CC[C@H](C1)C(=C)C)C)CC[C@@H]2C
• InChI: 1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h12-13,15H,1,5-9H2,2-4H3/t12-,13+,15-/m0/s1
• InChIKey: YHAJBLWYOIUHHM-GUTXKFCHSA-N

Properties

• Density: 0.894g/cm³ (Cal.)
• Boiling point: 274.463°C at 760 mmHg (Cal.)
• Flash point: 107.917°C (Cal.)