4,7-Dihydroxy-3-(3,7,11-Trimethyl-2,6,10-Dodecatrienyl)-2H-1-Benzopyran-2-One
[CAS# 643-57-2]

Identification

• Name: 4,7-Dihydroxy-3-(3,7,11-Trimethyl-2,6,10-Dodecatrienyl)-2H-1-Benzopyran-2-One
• Synonyms: 2,7-Dihydroxy-3-[(2E,6E)-3,7,11-Trimethyldodeca-2,6,10-Trienyl]Chromen-4-One; 2,7-Dihydroxy-3-(3,7,11-Trimethyldodeca-2,6,10-Trienyl)-4-Chromenone; 2,7-Dihydroxy-3-[(2E,6E)-3,7,11-Trimethyldodeca-2,6,10-Trienyl]-4-Chromenone
• Molecular Formula: C₂₄H₃₀O₄
• Molecular Weight: 382.50
• CAS Registry Number: 643-57-2
• SMILES: C1=CC(=CC2=C1C(=O)C(=C(O2)O)C/C=C(/CC/C=C(/CCC=C(C)C)C)C)O
• InChI: 1S/C24H30O4/c1-16(2)7-5-8-17(3)9-6-10-18(4)11-13-21-23(26)20-14-12-19(25)15-22(20)28-24(21)27/h7,9,11-12,14-15,25,27H,5-6,8,10,13H2,1-4H3/b17-9+,18-11+
• InChIKey: JTWYMSOHSMLJJA-XURGJTJWSA-N

Properties

• Density: 1.122g/cm³ (Cal.)
• Boiling point: 545.724°C at 760 mmHg (Cal.)
• Flash point: 182.346°C (Cal.)

References

• (1): Cardillo G, Cricchio R, Merlini L. Un nuovo costituente fenolico della gomma ammoniaco, La Ricerca Scientifica, 1968, 38, 804-805