(1S,4S,4aR)-4-Isopropyl-1,6-Dimethyl-1,2,3,4,4A,7-Hexahydronaphthalene
[CAS# 29837-12-5]

Identification

• Name: (1S,4S,4aR)-4-Isopropyl-1,6-Dimethyl-1,2,3,4,4A,7-Hexahydronaphthalene
• Synonyms: cubenene; trans-cadina-1,4-diene
• Molecular Formula: C₁₅H₂₄
• Molecular Weight: 204.35
• CAS Registry Number: 29837-12-5
• SMILES: CC(C)[C@@H]2CC[C@H](C)\C1=C\CC(\C)=C/[C@H]12
• InChI: 1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h7,9-10,12-13,15H,5-6,8H2,1-4H3/t12-,13-,15-/m0/s1
• InChIKey: JUQGWBAOQUBVFP-YDHLFZDLSA-N

Properties

• Density: 0.899g/cm³ (Cal.)
• Boiling point: 279.203°C at 760 mmHg (Cal.)
• Flash point: 110.246°C (Cal.)
• Refractive index: 1.498 (Cal.)