(2E)-4-Hydroxy-2-(1-Hydroxy-2-Methylpropylidene)-5-(3-Methyl-2-Buten-1-Yl)-1,3-Cyclopentanedione
[CAS# 38602-14-1]

Identification

• Name: (2E)-4-Hydroxy-2-(1-Hydroxy-2-Methylpropylidene)-5-(3-Methyl-2-Buten-1-Yl)-1,3-Cyclopentanedione
• Synonyms: 2-Cyclopenten-1-one, 3,4-dihydroxy-5-(3-methyl-2-butenyl)-2-(2-methyl-1-oxopropyl)-; Cohumulinic acid
• Molecular Formula: C₁₄H₂₀O₄
• Molecular Weight: 252.31
• CAS Registry Number: 38602-14-1
• SMILES: O=C1/C(=C(\O)C(C)C)C(=O)C(O)C1C\C=C(/C)C
• InChI: 1S/C14H20O4/c1-7(2)5-6-9-12(16)10(11(15)8(3)4)14(18)13(9)17/h5,8-9,13,15,17H,6H2,1-4H3/b11-10+
• InChIKey: MFJWERPRUPWBFX-ZHACJKMWSA-N

Properties

• Density: 1.171g/cm³ (Cal.)
• Boiling point: 401.61°C at 760 mmHg (Cal.)
• Flash point: 210.847°C (Cal.)