Methyl 4-{(2S,3S)-3-[(1E,3E)-5-oxo-1,3-pentadien-1-yl]-2-oxiranyl}butanoate
[CAS# 73958-00-6]

Identification

• Name: Methyl 4-{(2S,3S)-3-[(1E,3E)-5-oxo-1,3-pentadien-1-yl]-2-oxiranyl}butanoate
• Synonyms: METHYL-(5S,6S)-EPOXY-11-OXO-(7E,9E)-UNDECADIENOATE
• Molecular Formula: C₁₂H₁₆O₄
• Molecular Weight: 224.25
• CAS Registry Number: 73958-00-6
• SMILES: O=C(OC)CCC[C@@H]1O[C@H]1/C=C/C=C/C=O
• InChI: 1S/C12H16O4/c1-15-12(14)8-5-7-11-10(16-11)6-3-2-4-9-13/h2-4,6,9-11H,5,7-8H2,1H3/b4-2+,6-3+/t10-,11-/m0/s1
• InChIKey: VNDZNEGDVPXXAI-YVPVWAGGSA-N

Properties

• Density: 1.152g/cm³ (Cal.)
• Boiling point: 356.851°C at 760 mmHg (Cal.)
• Flash point: 157.884°C (Cal.)