Perhydrodiketohexestrol
[CAS# 20519-71-5]

Identification

• Name: Perhydrodiketohexestrol
• Synonyms: 4-[(1R,2S)-1-Ethyl-2-(4-Oxocyclohexyl)Butyl]Cyclohexan-1-One; 4-[(1R,2S)-1-Ethyl-2-(4-Oxocyclohexyl)Butyl]-1-Cyclohexanone; 4-[(1R,2S)-1-Ethyl-2-(4-Ketocyclohexyl)Butyl]Cyclohexan-1-One
• Molecular Formula: C₁₈H₃₀O₂
• Molecular Weight: 278.43
• CAS Registry Number: 20519-71-5
• SMILES: O=C2CCC([C@@H]([C@@H](C1CCC(=O)CC1)CC)CC)CC2
• InChI: 1S/C18H30O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h13-14,17-18H,3-12H2,1-2H3/t17-,18+
• InChIKey: PDJCYKNESXITTF-HDICACEKSA-N

Properties

• Density: 0.989g/cm³ (Cal.)
• Boiling point: 402.78°C at 760 mmHg (Cal.)
• Flash point: 150.846°C (Cal.)