3,4-Dihydroxy-4-(1-Hydroxy-4-Methylpentyl)-5-(3-Methylbutyl)-2-(3-Methyl-1-Oxobutyl)Cyclopent-2-En-1-One
[CAS# 22748-58-9]

Identification

• Name: 3,4-Dihydroxy-4-(1-Hydroxy-4-Methylpentyl)-5-(3-Methylbutyl)-2-(3-Methyl-1-Oxobutyl)Cyclopent-2-En-1-One
• Synonyms: 3,4-Dihydroxy-4-(1-Hydroxy-4-Methyl-Pentyl)-5-Isopentyl-2-(3-Methylbutanoyl)Cyclopent-2-En-1-One; 3,4-Dihydroxy-4-(1-Hydroxy-4-Methylpentyl)-5-Isopentyl-2-(3-Methyl-1-Oxobutyl)-1-Cyclopent-2-Enone; 3,4-Dihydroxy-4-(1-Hydroxy-4-Methyl-Pentyl)-5-Isoamyl-2-Isovaleryl-Cyclopent-2-En-1-One
• Molecular Formula: C₂₁H₃₆O₅
• Molecular Weight: 368.51
• CAS Registry Number: 22748-58-9
• EINECS: 245-195-5
• SMILES: C(C1C(C(=C(C1=O)C(CC(C)C)=O)O)(C(O)CCC(C)C)O)CC(C)C
• InChI: 1S/C21H36O5/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/h12-15,17,23,25-26H,7-11H2,1-6H3
• InChIKey: FUTYYOXQMQKWGM-UHFFFAOYSA-N

Properties

• Density: 1.1g/cm³ (Cal.)
• Boiling point: 522.372°C at 760 mmHg (Cal.)
• Flash point: 283.801°C (Cal.)