3,4-Dihydroxy-5-(3-Methylbut-2-Enyl)-2-(3-Methyl-1-Oxobutyl)-4-(4-Methyl-1-Oxopent-3-Enyl)Cyclopent-2-En-1-One
[CAS# 25522-96-7]

Identification

• Name: 3,4-Dihydroxy-5-(3-Methylbut-2-Enyl)-2-(3-Methyl-1-Oxobutyl)-4-(4-Methyl-1-Oxopent-3-Enyl)Cyclopent-2-En-1-One
• Synonyms: 3,4-Dihydroxy-5-(3-Methylbut-2-Enyl)-2-(3-Methyl-1-Oxobutyl)-4-(4-Methyl-1-Oxopent-3-Enyl)-1-Cyclopent-2-Enone; 3,4-Dihydroxy-2-Isovaleryl-5-(3-Methylbut-2-Enyl)-4-(4-Methylpent-3-Enoyl)Cyclopent-2-En-1-One; Isohumulone
• Molecular Formula: C₂₁H₃₀O₅
• Molecular Weight: 362.47
• CAS Registry Number: 25522-96-7
• EINECS: 247-072-1
• SMILES: C(C(=O)C1=C(C(C(CC=C(C)C)C1=O)(C(CC=C(C)C)=O)O)O)C(C)C
• InChI: 1S/C21H30O5/c1-12(2)7-9-15-19(24)18(16(22)11-14(5)6)20(25)21(15,26)17(23)10-8-13(3)4/h7-8,14-15,25-26H,9-11H2,1-6H3
• InChIKey: QARXXMMQVDCYGZ-UHFFFAOYSA-N

Properties

• Density: 1.135g/cm³ (Cal.)
• Boiling point: 530.5°C at 760 mmHg (Cal.)
• Flash point: 288.711°C (Cal.)