(E)-11-Oxo-11-[(2S,3R)-3-Pentyloxiran-2-Yl]Undec-9-Enoic Acid
[CAS# 79741-28-9]

Identification

• Name: (E)-11-Oxo-11-[(2S,3R)-3-Pentyloxiran-2-Yl]Undec-9-Enoic Acid
• Synonyms: (E)-11-Oxo-11-[(2S,3R)-3-Pentyl-2-Oxiranyl]Undec-9-Enoic Acid; (E)-11-[(2S,3R)-3-Amyloxiran-2-Yl]-11-Keto-Undec-9-Enoic Acid; 12,13-Epoxy-11-Oxo-9-Octadecenoic Acid
• Molecular Formula: C₁₈H₃₀O₄
• Molecular Weight: 310.43
• CAS Registry Number: 79741-28-9
• SMILES: [C@@H]1(O[C@@H]1CCCCC)C(=O)\C=C\CCCCCCCC(=O)O
• InChI: 1S/C18H30O4/c1-2-3-9-13-16-18(22-16)15(19)12-10-7-5-4-6-8-11-14-17(20)21/h10,12,16,18H,2-9,11,13-14H2,1H3,(H,20,21)/b12-10+/t16-,18-/m1/s1
• InChIKey: RDGAFGWICQNYLG-CJXWSEAPSA-N

Properties

• Density: 1.037g/cm³ (Cal.)
• Boiling point: 439.072°C at 760 mmHg (Cal.)
• Flash point: 148.769°C (Cal.)