(1R,5S,6R)-3-[(2E)-2-Buten-2-yl]-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
[CAS# 635678-67-0]

Identification

• Name: (1R,5S,6R)-3-[(2E)-2-Buten-2-yl]-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
• Synonyms: (1R,5S,6R)-3-((E)-but-2-en-2-yl)-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one; (1R,5S,6R)-5-Hydroxy-4-hydroxymethyl-3-((E)-1-methyl-propenyl)-7-oxa-bicyclo[4.1.0]hept-3-en-2-one
• Molecular Formula: C₁₁H₁₄O₄
• Molecular Weight: 210.23
• CAS Registry Number: 635678-67-0
• SMILES: C/C=C(\C)/C1=C([C@@H]([C@@H]2[C@H](C1=O)O2)O)CO
• InChI: 1S/C11H14O4/c1-3-5(2)7-6(4-12)8(13)10-11(15-10)9(7)14/h3,8,10-13H,4H2,1-2H3/b5-3+/t8-,10+,11-/m0/s1
• InChIKey: KXIKDXSMKCFEQK-YLQJLPCGSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 454.4±45.0°C at 760 mmHg (Cal.)
• Flash point: 183.3±22.2°C (Cal.)
• Refractive index: 1.588 (Cal.)