2-Hydroxy-5-Methoxy-3-[(E)-3-Methyl-5-(2,6,6-Trimethyl-1-Cyclohex-2-Enyl)Pent-2-Enyl]Cyclohexa-2,5-Diene-1,4-Dione
[CAS# 145401-37-2]

Identification

• Name: 2-Hydroxy-5-Methoxy-3-[(E)-3-Methyl-5-(2,6,6-Trimethyl-1-Cyclohex-2-Enyl)Pent-2-Enyl]Cyclohexa-2,5-Diene-1,4-Dione
• Synonyms: 2-Hydroxy-5-Methoxy-3-[(E)-3-Methyl-5-(2,6,6-Trimethyl-1-Cyclohex-2-Enyl)Pent-2-Enyl]-1,4-Benzoquinone; 2-Hydroxy-5-Methoxy-3-[(E)-3-Methyl-5-(2,6,6-Trimethyl-1-Cyclohex-2-Enyl)Pent-2-Enyl]-P-Benzoquinone; Isometachromin
• Molecular Formula: C₂₂H₃₀O₄
• Molecular Weight: 358.48
• CAS Registry Number: 145401-37-2
• SMILES: C(C1=C(O)C(=O)C=C(OC)C1=O)\C=C(\CCC2C(CCC=C2C)(C)C)C
• InChI: 1S/C22H30O4/c1-14(9-11-17-15(2)7-6-12-22(17,3)4)8-10-16-20(24)18(23)13-19(26-5)21(16)25/h7-8,13,17,24H,6,9-12H2,1-5H3/b14-8+
• InChIKey: QWVBWKKUVQTKEX-RIYZIHGNSA-N

Properties

• Density: 1.109g/cm³ (Cal.)
• Boiling point: 483.705°C at 760 mmHg (Cal.)
• Flash point: 160.771°C (Cal.)