(1R,2R,6R)-4-Tert-Butyl-2-Hydroxy-7-Oxabicyclo[4.1.0]Hept-3-En-5-One
[CAS# 158592-93-9]

Identification

• Name: (1R,2R,6R)-4-Tert-Butyl-2-Hydroxy-7-Oxabicyclo[4.1.0]Hept-3-En-5-One
• Synonyms: 6-Tert-Butyl-2,3-Epoxy-1,4-Benzoquinone; Tbe-Bq
• Molecular Formula: C₁₀H₁₄O₃
• Molecular Weight: 182.22
• CAS Registry Number: 158592-93-9
• SMILES: [C@H]12C(C(=C[C@H]([C@H]1O2)O)C(C)(C)C)=O
• InChI: 1S/C10H14O3/c1-10(2,3)5-4-6(11)8-9(13-8)7(5)12/h4,6,8-9,11H,1-3H3/t6-,8-,9+/m1/s1
• InChIKey: PSYOCQSPCVZCHY-VDAHYXPESA-N

Properties

• Density: 1.237g/cm³ (Cal.)
• Boiling point: 329.389°C at 760 mmHg (Cal.)
• Flash point: 131.707°C (Cal.)