(1R,2S,6R,7S)-1-Methyltricyclo[5.3.1.0^2,6]Undec-3-En-8-One
[CAS# 521095-03-4]

Identification

• Name: (1R,2S,6R,7S)-1-Methyltricyclo[5.3.1.0^2,6]Undec-3-En-8-One
• Synonyms: (3aR,4S,8R,8aS)-8-methyl-3a,4,6,7,8,8a-hexahydro-4,8-methanoazulen-5(3H)-one
• Molecular Formula: C₁₂H₁₆O
• Molecular Weight: 176.25
• CAS Registry Number: 521095-03-4
• SMILES: C[C@@]12CCC(=O)[C@@H](C1)[C@H]3[C@@H]2C=CC3
• InChI: 1S/C12H16O/c1-12-6-5-11(13)9(7-12)8-3-2-4-10(8)12/h2,4,8-10H,3,5-7H2,1H3/t8-,9-,10-,12+/m0/s1
• InChIKey: FGNAJEQNGMUKSH-QFOLPQNPSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 262.9±29.0°C at 760 mmHg (Cal.)
• Flash point: 106.2±19.2°C (Cal.)
• Refractive index: 1.546 (Cal.)