3-Methyl-2,3,4,5,6,7-Hexahydro-1H-Inden-1-One
[CAS# 18631-68-0]

Identification

• Name: 3-Methyl-2,3,4,5,6,7-Hexahydro-1H-Inden-1-One
• Synonyms: (3R/S)-3-Methyl-2,3,4,5,6,7-hexahydro-1H-inden-1-one; 2,3,4,5,6,7-hexahydro-3-methylinden-1-one
• Molecular Formula: C₁₀H₁₄O
• Molecular Weight: 150.22
• CAS Registry Number: 18631-68-0
• SMILES: O=C2/C1=C(/CCCC1)C(C2)C
• InChI: 1S/C10H14O/c1-7-6-10(11)9-5-3-2-4-8(7)9/h7H,2-6H2,1H3
• InChIKey: XAIDJKMHAGUWQN-UHFFFAOYSA-N

Properties

• Density: 1.021g/cm³ (Cal.)
• Boiling point: 259.846°C at 760 mmHg (Cal.)
• Flash point: 100.946°C (Cal.)
• Refractive index: 1.507 (Cal.)

References

• (1): Rentmeister et al.. Chemo-enzymatic fluorination of unactivated organic compounds, Nature Chemical Biology, 2008