(4S,5S,6R)-4,5,6-Trihydroxy-6-Methyl-2-Cyclohexen-1-One
[CAS# 514205-04-0]

Identification

• Name: (4S,5S,6R)-4,5,6-Trihydroxy-6-Methyl-2-Cyclohexen-1-One
• Synonyms: (4S,5S,6R)-4,5,6-trihydroxy-6-methylcyclohex-2-enone
• Molecular Formula: C₇H₁₀O₄
• Molecular Weight: 158.15
• CAS Registry Number: 514205-04-0
• SMILES: C[C@]1([C@H]([C@H](C=CC1=O)O)O)O
• InChI: 1S/C7H10O4/c1-7(11)5(9)3-2-4(8)6(7)10/h2-4,6,8,10-11H,1H3/t4-,6-,7-/m0/s1
• InChIKey: HAANJZCKWHVEEU-QTSITTDLSA-N

Properties

• Density: 1.497g/cm³ (Cal.)
• Boiling point: 314.814°C at 760 mmHg (Cal.)
• Flash point: 158.413°C (Cal.)
• Refractive index: 1.613 (Cal.)