4-[2-(6-Hydroxy-2-Methylchromen-2-Yl)Ethyl]-3,5,5-Trimethylcyclohex-2-En-1-One
[CAS# 164672-55-3]

Identification

• Name: 4-[2-(6-Hydroxy-2-Methylchromen-2-Yl)Ethyl]-3,5,5-Trimethylcyclohex-2-En-1-One
• Synonyms: 4-[2-(6-Hydroxy-2-Methyl-Chromen-2-Yl)Ethyl]-3,5,5-Trimethyl-Cyclohex-2-En-1-One; 4-[2-(6-Hydroxy-2-Methyl-2-Chromenyl)Ethyl]-3,5,5-Trimethyl-1-Cyclohex-2-Enone; Cyclorenierin A
• Molecular Formula: C₂₁H₂₆O₃
• Molecular Weight: 326.43
• CAS Registry Number: 164672-55-3
• SMILES: C1=C3C(=CC(=C1)O)C=CC(CCC2C(=CC(CC2(C)C)=O)C)(O3)C
• InChI: 1S/C21H26O3/c1-14-11-17(23)13-20(2,3)18(14)8-10-21(4)9-7-15-12-16(22)5-6-19(15)24-21/h5-7,9,11-12,18,22H,8,10,13H2,1-4H3
• InChIKey: DADPEJANNMTFEG-UHFFFAOYSA-N

Properties

• Density: 1.075g/cm³ (Cal.)
• Boiling point: 484.851°C at 760 mmHg (Cal.)
• Flash point: 167.984°C (Cal.)