1-Methyl-4-(6-Methyl-1,5-Heptadien-2-Yl)Cyclohexene
[CAS# 21902-26-1]

Identification

• Name: 1-Methyl-4-(6-Methyl-1,5-Heptadien-2-Yl)Cyclohexene
• Synonyms: (-)-β-bisabolene; (+,-)-β-Bisabolene; 1,5-Heptadiene, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-, (S)-(-)-
• Molecular Formula: C₁₅H₂₄
• Molecular Weight: 204.35
• CAS Registry Number: 21902-26-1
• EINECS: 310-198-3
• SMILES: CC1=CCC(CC1)C(=C)CCC=C(C)C
• InChI: 1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3
• InChIKey: XZRVRYFILCSYSP-UHFFFAOYSA-N

Properties

• Density: 0.9±0.1g/cm³ (Cal.)
• Boiling point: 275.4±25.0°C at 760 mmHg (Cal.)
• Flash point: 109.8±18.0°C (Cal.)
• Refractive index: 1.484 (Cal.)

References

• (1): Pronin et al.. Synthesis of highly strained terpenes by non-stop tail-to-head polycyclization, Nature Chemistry, 2012