beta-Cadinene
[CAS# 523-47-7]

Identification

• Name: beta-Cadinene
• Synonyms: (1S,4Ar,8As)-1-Isopropyl-4,7-Dimethyl-1,2,4A,5,8,8A-Hexahydronaphthalene; Ccris 5894; Cadina-3,9-Diene (8Ci)
• Molecular Formula: C₁₅H₂₄
• Molecular Weight: 204.35
• CAS Registry Number: 523-47-7
• SMILES: [C@@H]12[C@H](C(=CC[C@H]1C(C)C)C)CC=C(C2)C
• InChI: 1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3/t13-,14-,15-/m0/s1
• InChIKey: USDOQCCMRDNVAH-KKUMJFAQSA-N

Properties

• Density: 0.9±0.1g/cm³ (Cal.)
• Boiling point: 271.5±30.0°C at 760 mmHg (Cal.)
• Flash point: 106.5±19.4°C (Cal.)