3-Chloro-4,6-Dihydroxy-2-Methyl-5-[(2E,6E)-3,7,11-Trimethyl-2,6,10-Dodecatrienyl]Benzaldehyde
[CAS# 22581-06-2]

Identification

• Name: 3-Chloro-4,6-Dihydroxy-2-Methyl-5-[(2E,6E)-3,7,11-Trimethyl-2,6,10-Dodecatrienyl]Benzaldehyde
• Synonyms: Ilicicolin A; Ll-Z 1272-Alpha; Beta-Resorcylaldehyde, 5-Chloro-6-Methyl-3-(3,7,11-Trimethyl-2,6,10-Dodecatrienyl)- (8Ci)
• Molecular Formula: C₂₃H₃₁ClO₃
• Molecular Weight: 390.95
• CAS Registry Number: 22581-06-2
• SMILES: C(C1=C(O)C(=C(C(=C1O)C=O)C)Cl)\C=C(\CC\C=C(\CCC=C(C)C)C)C
• InChI: 1S/C23H31ClO3/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-22(26)20(14-25)18(5)21(24)23(19)27/h8,10,12,14,26-27H,6-7,9,11,13H2,1-5H3/b16-10+,17-12+
• InChIKey: MHWOMRMBQGSTFS-JTCWOHKRSA-N

Properties

• Density: 1.105g/cm³ (Cal.)
• Boiling point: 532.093°C at 760 mmHg (Cal.)
• Flash point: 275.6°C (Cal.)