4,7-Dimethylhexahydrocyclopenta[c]Pyran-1(3H)-One
[CAS# 21950-33-4]

Identification

• Name: 4,7-Dimethylhexahydrocyclopenta[c]Pyran-1(3H)-One
• Synonyms: 3,4α-dihydro-4aα,7α,7aα-Nepetalactone; 4,7-Dimethylhexahydrocyclopenta[c]pyran-1(3H)-one #; 4α,7α-Dimethylhexahydrocyclopenta[c]pyran-1(3H)-one
• Molecular Formula: C₁₀H₁₆O₂
• Molecular Weight: 168.23
• CAS Registry Number: 21950-33-4
• SMILES: O=C1OCC(C2C1C(CC2)C)C
• InChI: 1S/C10H16O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h6-9H,3-5H2,1-2H3
• InChIKey: LSRNBGXEEKNZHN-UHFFFAOYSA-N

Properties

• Density: 1g/cm³ (Cal.)
• Boiling point: 270.546°C at 760 mmHg (Cal.)
• Flash point: 107.708°C (Cal.)
• Refractive index: 1.46 (Cal.)