3'-Hexadecyl 1,2-di-9-octadecen-1-yl 2'-octadecyl 1',3-(1,2-propanediyl) bis(2-hydroxy-1,2,3-propanetricarboxylate)
[CAS# 84864-67-5]

Identification

• Name: 3'-Hexadecyl 1,2-di-9-octadecen-1-yl 2'-octadecyl 1',3-(1,2-propanediyl) bis(2-hydroxy-1,2,3-propanetricarboxylate)
• Synonyms: 1-hexadecyl 3-[2-[[3-hydroxy-5-(octadec-9-enyloxy)-3-[(octadec-9-enyloxy)carbonyl]-5-oxovaleroyl]oxy]-1-methylethyl] 2-octadecyl citrate
• Molecular Formula: C₈₅H₁₅₆O₁₄
• Molecular Weight: 1402.14
• CAS Registry Number: 84864-67-5
• EINECS: 284-391-5
• SMILES: CCCCCCCCC=CCCCCCCCCOC(=O)C(O)(CC(=O)OCCCCCCCCC=CCCCCCCCC)CC(=O)OCC(C)OC(=O)CC(O)(CC(=O)OCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCCCC
• InChI: 1S/C85H156O14/c1-6-10-14-18-22-26-30-34-38-41-45-49-53-56-60-64-68-94-78(86)72-84(92,82(90)96-70-66-62-58-54-50-46-42-39-35-31-27-23-19-15-11-7-2)74-80(88)98-76-77(5)99-81(89)75-85(93,73-79(87)95-69-65-61-57-52-48-44-37-33-29-25-21-17-13-9-4)83(91)97-71-67-63-59-55-51-47-43-40-36-32-28-24-20-16-12-8-3/h34-35,38-39,77,92-93H,6-33,36-37,40-76H2,1-5H3
• InChIKey: WETHZCNELWLBAS-UHFFFAOYSA-N

Properties

• Density: 0.977g/cm³ (Cal.)
• Boiling point: 1066.057°C at 760 mmHg (Cal.)
• Flash point: 238.423°C (Cal.)