(1S,5S,6S)-5-Hydroxy-4-(Hydroxymethyl)-7-Oxabicyclo[4.1.0]Hept-3-En-2-One
[CAS# 439906-13-5]

Identification

• Name: (1S,5S,6S)-5-Hydroxy-4-(Hydroxymethyl)-7-Oxabicyclo[4.1.0]Hept-3-En-2-One
• Synonyms: (±)-parasitenone; parasitenone; rel-(1R,5R,6R)-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
• Molecular Formula: C₇H₈O₄
• Molecular Weight: 156.14
• CAS Registry Number: 439906-13-5
• SMILES: C1=C([C@@H]([C@H]2[C@@H](C1=O)O2)O)CO
• InChI: 1S/C7H8O4/c8-2-3-1-4(9)6-7(11-6)5(3)10/h1,5-8,10H,2H2/t5-,6+,7-/m0/s1
• InChIKey: RZGZRGXCPXHJFW-XVMARJQXSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 445.2±45.0°C at 760 mmHg (Cal.)
• Flash point: 196.2±22.2°C (Cal.)
• Refractive index: 1.618 (Cal.)