(1S,5S,6R)-2,6-Dimethyl-6-(4-Methyl-3-Penten-1-Yl)Bicyclo[3.1.1]Hept-2-Ene
[CAS# 13474-59-4]

Identification

• Name: (1S,5S,6R)-2,6-Dimethyl-6-(4-Methyl-3-Penten-1-Yl)Bicyclo[3.1.1]Hept-2-Ene
• Synonyms: (-)-exo-α-bergamotene; (-)-trans-α-bergamotene; Bicyclo[3.1.1]hept-2-ene, 2,6-dimethyl-6-(4-methyl-3-penten-1-yl)-, (1S,5S,6R)-
• Molecular Formula: C₁₅H₂₄
• Molecular Weight: 204.35
• CAS Registry Number: 13474-59-4
• SMILES: C/C(C)=C\CC[C@]2(C)[C@@H]1C[C@H]2C(/C)=C\C1
• InChI: 1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14-,15+/m0/s1
• InChIKey: YMBFCQPIMVLNIU-SOUVJXGZSA-N

Properties

• Density: 0.881g/cm³ (Cal.)
• Boiling point: 259.502°C at 760 mmHg (Cal.)
• Flash point: 100.565°C (Cal.)
• Refractive index: 1.489 (Cal.)