4-(5-Methoxyheptyl)-3,3a,4,5,6,6a-Hexahydro-1H-Pentalen-2-One
[CAS# 105635-64-1]

Identification

• Name: 4-(5-Methoxyheptyl)-3,3a,4,5,6,6a-Hexahydro-1H-Pentalen-2-One
• Synonyms: 2(1H)-Pentalenone, Hexahydro-4-(5-Methoxyheptyl)-; Cioteronel; Cioteronel [Usan:Inn]
• Molecular Formula: C₁₆H₂₈O₂
• Molecular Weight: 252.40
• CAS Registry Number: 105635-64-1
• SMILES: C(C2C1C(CC(C1)=O)CC2)CCCC(CC)OC
• InChI: 1S/C16H28O2/c1-3-15(18-2)7-5-4-6-12-8-9-13-10-14(17)11-16(12)13/h12-13,15-16H,3-11H2,1-2H3
• InChIKey: KDULJHFMZBRAHO-UHFFFAOYSA-N

Properties

• Density: 0.96g/cm³ (Cal.)
• Boiling point: 341.823°C at 760 mmHg (Cal.)
• Flash point: 130.511°C (Cal.)