3-[2-Hydroxy-3-[(9Z,11Z)-Octadeca-9,11-Dienoyl]Oxy-Propoxy]Carbonylbenzoic Acid
[CAS# 68186-55-0]

Identification

• Name: 3-[2-Hydroxy-3-[(9Z,11Z)-Octadeca-9,11-Dienoyl]Oxy-Propoxy]Carbonylbenzoic Acid
• Synonyms: 3-[2-Hydroxy-3-[(9Z,11Z)-Octadeca-9,11-Dienoyl]Oxy-Propoxy]Carbonylbenzoic Acid; 3-[[2-Hydroxy-3-[(9Z,11Z)-1-Oxooctadeca-9,11-Dienoxy]Propoxy]-Oxomethyl]Benzoic Acid; 1,3-Benzenedicarboxylic Acid, Ester With 1,2,3-Propanetriol (9Z,12Z)-9,12-Octadecadienoate
• Molecular Formula: C₂₉H₄₂O₇
• Molecular Weight: 502.65
• CAS Registry Number: 68186-55-0
• SMILES: C1=CC=C(C=C1C(O)=O)C(=O)OCC(COC(=O)CCCCCCC\C=C/C=C\CCCCCC)O
• InChI: 1S/C29H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27(31)35-22-26(30)23-36-29(34)25-19-17-18-24(21-25)28(32)33/h7-10,17-19,21,26,30H,2-6,11-16,20,22-23H2,1H3,(H,32,33)/b8-7-,10-9-
• InChIKey: NLNXAASMYDCIPX-QRLRYFCNSA-N

Properties

• Density: 1.096g/cm³ (Cal.)
• Boiling point: 667.182°C at 760 mmHg (Cal.)
• Flash point: 210.966°C (Cal.)