2-[3-[(2,5-Dihydro-2-Hydroxy-5-Oxofuran)-3-Yl]-3-Hydroxypropylidene]-6-Methyl-8-(2,6,6-Trimethyl-1-Cyclohexen-1-Yl)-5-Octenal
[CAS# 80388-50-7]

Identification

• Name: 2-[3-[(2,5-Dihydro-2-Hydroxy-5-Oxofuran)-3-Yl]-3-Hydroxypropylidene]-6-Methyl-8-(2,6,6-Trimethyl-1-Cyclohexen-1-Yl)-5-Octenal
• Synonyms: (E,2E)-2-[3-Hydroxy-3-(2-Hydroxy-5-Keto-2H-Furan-3-Yl)Propylidene]-6-Methyl-8-(2,6,6-Trimethyl-1-Cyclohexenyl)Oct-5-Enal; Secomanoalide; 5-Octenal, 2-(3-(2,5-Dihydro-2-Hydroxy-5-Oxo-3-Furanyl)-3-Hydroxypropylidene)-6-Methyl-8-(2,6,6-Trimethyl-1-Cyclohexen-1-Yl)-
• Molecular Formula: C₂₅H₃₆O₅
• Molecular Weight: 416.56
• CAS Registry Number: 80388-50-7
• SMILES: C(C1=C(CCCC1(C)C)C)C\C(=C\CC\C(=C/CC(C2=CC(=O)OC2O)O)C=O)C
• InChI: 1S/C25H36O5/c1-17(10-12-21-18(2)8-6-14-25(21,3)4)7-5-9-19(16-26)11-13-22(27)20-15-23(28)30-24(20)29/h7,11,15-16,22,24,27,29H,5-6,8-10,12-14H2,1-4H3/b17-7+,19-11+
• InChIKey: KESXQHZIRZKRKH-QGQXVBDASA-N

Properties

• Density: 1.105g/cm³ (Cal.)
• Boiling point: 623.705°C at 760 mmHg (Cal.)
• Flash point: 207.529°C (Cal.)