4-[(2S,3S)-3-[(1E,3E,5Z,8Z)-Tetradeca-1,3,5,8-Tetraenyl]Oxiran-2-Yl]Butanoic Acid
[CAS# 72059-45-1]

Identification

• Name: 4-[(2S,3S)-3-[(1E,3E,5Z,8Z)-Tetradeca-1,3,5,8-Tetraenyl]Oxiran-2-Yl]Butanoic Acid
• Synonyms: 4-[(2S,3S)-3-[(1E,3E,5Z,8Z)-Tetradeca-1,3,5,8-Tetraenyl]-2-Oxiranyl]Butanoic Acid; 4-[(2S,3S)-3-[(1E,3E,5Z,8Z)-Tetradeca-1,3,5,8-Tetraenyl]Oxiran-2-Yl]Butyric Acid; (7E,9E,11Z,14Z)-(5S,6S)-5,6-Epoxyeicosa-7,9,11,14-Tetraenoate
• Molecular Formula: C₂₀H₃₀O₃
• Molecular Weight: 318.46
• CAS Registry Number: 72059-45-1
• SMILES: [C@H]1(O[C@H]1\C=C\C=C\C=C/C\C=C/CCCCC)CCCC(O)=O
• InChI: 1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-13,15,18-19H,2-5,8,14,16-17H2,1H3,(H,21,22)/b7-6-,10-9-,12-11+,15-13+/t18-,19-/m0/s1
• InChIKey: UFPQIRYSPUYQHK-WAQVJNLQSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 484.3±25.0°C at 760 mmHg (Cal.)
• Flash point: 165.1±16.7°C (Cal.)