(1R,3S,6S)-3,7,7-Trimethylbicyclo[4.1.0]Heptane
[CAS# 18968-23-5]

Identification

• Name: (1R,3S,6S)-3,7,7-Trimethylbicyclo[4.1.0]Heptane
• Synonyms: (1R,3S,6S)-rel-3,7,7-Trimethylbicyclo(4.1.0)heptane; (1α,3α,6α)-3,7,7-Trimethylbicyclo(4.1.0)heptane; trans-Carane
• Molecular Formula: C₁₀H₁₈
• Molecular Weight: 138.25
• CAS Registry Number: 18968-23-5
• SMILES: C[C@H]1CC[C@H]2[C@@H](C1)C2(C)C
• InChI: 1S/C10H18/c1-7-4-5-8-9(6-7)10(8,2)3/h7-9H,4-6H2,1-3H3/t7-,8-,9+/m0/s1
• InChIKey: BWRHOYDPVJPXMF-XHNCKOQMSA-N

Properties

• Density: 0.845g/cm³ (Cal.)
• Boiling point: 168.999°C at 760 mmHg (Cal.)
• Flash point: 36.007°C (Cal.)
• Refractive index: 1.455 (Cal.)