Cas no 68966-40-5 (9-Octadecenoic acid(9Z)-, 1,1'-[2,2-bis[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl] ester)

9-Octadecenoic acid(9Z)-, 1,1'-[2,2-bis[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl] ester structure
68966-40-5 structure
Product Name:9-Octadecenoic acid(9Z)-, 1,1'-[2,2-bis[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl] ester
CAS No:68966-40-5
MF:C77H144O8
MW:1197.96248626709
CID:505042
PubChem ID:6441327
Update Time:2025-04-19

9-Octadecenoic acid(9Z)-, 1,1'-[2,2-bis[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl] ester Chemical and Physical Properties

Names and Identifiers

    • 9-Octadecenoic acid(9Z)-, 1,1'-[2,2-bis[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl] ester
    • 2,2-bis[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl dioleate
    • 2,2-Bis(((1-oxooctadecyl)oxy)methyl)-1,3-propanediyl dioleate
    • 2,2-bis[(octadecanoyloxy)methyl]propane-1,3-diyl (9E,9'E)bis-octadec-9-en
    • 9-Octadecenoic acid (9Z)-, 1,1'-(2,2-bis(((1-oxooctadecyl)oxy)methyl)-1,3-propanediyl) ester
    • 9-Octadecenoic acid (9Z)-, 2,2-bis(((1-oxooctadecyl)oxy)methyl)-1,3-propanediyl ester
    • 9-Octadecenoic acid (Z)-, 2,2-bis(((1-oxooctadecyl)oxy)methyl)-1,3-propanediyl ester
    • Pentaerythritol dioleate distearate
    • DTXSID101015087
    • (9Z,9'Z)-2,2-Bis((stearoyloxy)methyl)propane-1,3-diyl bis(octadec-9-enoate)
    • EINECS 273-430-1
    • 68966-40-5
    • Inchi： 1S/C77H144O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(78)82-69-77(70-83-74(79)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-84-75(80)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-85-76(81)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h33-34,37-38H,5-32,35-36,39-72H2,1-4H3/b37-33+,38-34+
    • InChI Key： JWIGOZQHOZXYPI-YEQLPCBTSA-N
    • SMILES： O(C(CCCCCCCCCCCCCCCCC)=O)CC(COC(CCCCCCC/C=C/CCCCCCCC)=O)(COC(CCCCCCC/C=C/CCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 1197.08672
  • Monoisotopic Mass: 1197.086122
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 85
  • Rotatable Bond Count: 74
  • Complexity: 1360
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 105
  • XLogP3: 31.7

Experimental Properties

  • Density: 0.92
  • Boiling Point: 997.2°C at 760 mmHg
  • Flash Point: 342.6°C
  • Refractive Index: 1.474
  • PSA: 105.2

9-Octadecenoic acid(9Z)-, 1,1'-[2,2-bis[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl] ester Related Literature

68966-40-5 (9-Octadecenoic acid(9Z)-, 1,1'-[2,2-bis[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl] ester) Related Products

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