2-[3-(1,3-Benzodioxol-5-Yl)Propanoyl]-5-Phenylcyclohexane-1,3-Dione
[CAS# 77053-97-5]

Identification

• Name: 2-[3-(1,3-Benzodioxol-5-Yl)Propanoyl]-5-Phenylcyclohexane-1,3-Dione
• Synonyms: 2-[3-(1,3-Benzodioxol-5-Yl)Propanoyl]-5-Phenyl-Cyclohexane-1,3-Dione; 2-[3-(1,3-Benzodioxol-5-Yl)-1-Oxopropyl]-5-Phenylcyclohexane-1,3-Dione; 2-[3-(1,3-Benzodioxol-5-Yl)Propanoyl]-5-Phenyl-Cyclohexane-1,3-Quinone
• Molecular Formula: C₂₂H₂₀O₅
• Molecular Weight: 364.40
• CAS Registry Number: 77053-97-5
• SMILES: C1=CC=CC=C1C2CC(C(C(C2)=O)C(CCC4=CC=C3OCOC3=C4)=O)=O
• InChI: 1S/C22H20O5/c23-17(8-6-14-7-9-20-21(10-14)27-13-26-20)22-18(24)11-16(12-19(22)25)15-4-2-1-3-5-15/h1-5,7,9-10,16,22H,6,8,11-13H2
• InChIKey: OLUMRJVVZCNCBF-UHFFFAOYSA-N

Properties

• Density: 1.286g/cm³ (Cal.)
• Boiling point: 569.853°C at 760 mmHg (Cal.)
• Flash point: 250.251°C (Cal.)