(5E,8E,12E)-11-Hydroxy-13-(3-Pentyl-2-Oxiranyl)-5,8,12-Tridecatrienoic Acid
[CAS# 219535-29-2]

Identification

• Name: (5E,8E,12E)-11-Hydroxy-13-(3-Pentyl-2-Oxiranyl)-5,8,12-Tridecatrienoic Acid
• Synonyms: (5E,8E,12E)-11-Hydroxy-13-(3-pentyl-2-oxiranyl)-5,8,12-tridecatrienoic acid; (5E,8E,12E)-11-Hydroxy-13-(3-pentyl-2-oxiranyl)-5,8,12-tridecatriensäure; 5,8,12-Tridecatrienoic acid, 11-hydroxy-13-(3-pentyloxiranyl)-, (5E,8E,12E)-
• Molecular Formula: C₂₀H₃₂O₄
• Molecular Weight: 336.47
• CAS Registry Number: 219535-29-2
• SMILES: CCCCCC1C(O1)/C=C/C(C/C=C/C/C=C/CCCC(=O)O)O
• InChI: 1S/C20H32O4/c1-2-3-9-13-18-19(24-18)16-15-17(21)12-10-7-5-4-6-8-11-14-20(22)23/h4,6-7,10,15-19,21H,2-3,5,8-9,11-14H2,1H3,(H,22,23)/b6-4+,10-7+,16-15+
• InChIKey: WLMZMBKVRPUYIG-DQHCSFNSSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 501.6±50.0°C at 760 mmHg (Cal.)
• Flash point: 170.1±23.6°C (Cal.)
• Refractive index: 1.549 (Cal.)