Cas no 15196-52-8 (Octadecanoic acid,1,1'-[2-ethyl-2-[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl] ester)

Octadecanoic acid,1,1'-[2-ethyl-2-[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl] ester structure
15196-52-8 structure
Product Name:Octadecanoic acid,1,1'-[2-ethyl-2-[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl] ester
CAS No:15196-52-8
MF:C60H116O6
MW:933.559460639954
CID:177658
PubChem ID:15677533
Update Time:2025-04-19

Octadecanoic acid,1,1'-[2-ethyl-2-[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl] ester Chemical and Physical Properties

Names and Identifiers

    • Octadecanoic acid,1,1'-[2-ethyl-2-[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl] ester
    • 2,2-bis(octadecanoyloxymethyl)butyl octadecanoate
    • 2,2-bis[(octadecanoyloxy)methyl]butyl octadecanoate (non-preferred name)
    • 2-Ethyl-2-(((1-oxooctadecyl)oxy)methyl)propane-1,3-diyl distearate
    • Octadecanoic acid, 2-ethyl-2-(((1-oxooctadecyl)oxy)methyl)-1,3-propanediyl ester
    • Trimethylolpropane tristearate
    • 1,1,1-Trimethylolpropane tristearate
    • 2-ethyl-2-[[(1-oxooctadecyl)oxy]methyl]propane-1,3-diyl distearate
    • Dioctadecanoic acid 2-ethyl-2-[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl ester
    • TRIMETHYLOLPROPANE TRISTEARATE [INCI]
    • G455RS539U
    • 15196-52-8
    • SCHEMBL3412329
    • OCTADECANOIC ACID, 2,2-BIS(((1-OXOOCTADECYL)OXY)METHYL)BUTYL ESTER
    • EINECS 239-252-3
    • DIOCTADECANOIC ACID 2-ETHYL-2-(((1-OXOOCTADECYL)OXY)METHYL)-1,3-PROPANEDIYL ESTER
    • STEARIC ACID, TRIESTER WITH 2-ETHYL-2-(HYDROXYMETHYL)-1,3-PROPANEDIOL
    • NS00051457
    • OCTADECANOIC ACID, 1,1'-(2-ETHYL-2-(((1-OXOOCTADECYL)OXY)METHYL)-1,3-PROPANEDIYL) ESTER
    • J218.372B
    • HEST T-3S
    • HEST T 3S
    • UNII-G455RS539U
    • 2,2-BIS((STEAROYLOXY)METHYL)BUTYL STEARATE
    • DTXSID001021245
    • Q27278719
    • Inchi： 1S/C60H116O6/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-57(61)64-54-60(8-4,55-65-58(62)52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)56-66-59(63)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h5-56H2,1-4H3
    • InChI Key： PDDAEITXZXSQGZ-UHFFFAOYSA-N
    • SMILES： O(C(CCCCCCCCCCCCCCCCC)=O)CC(COC(CCCCCCCCCCCCCCCCC)=O)(COC(CCCCCCCCCCCCCCCCC)=O)CC

Computed Properties

  • Exact Mass: 932.87768
  • Monoisotopic Mass: 932.87719142g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 66
  • Rotatable Bond Count: 58
  • Complexity: 889
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 26.1
  • Topological Polar Surface Area: 78.9?2

Experimental Properties

  • PSA: 78.9

Octadecanoic acid,1,1'-[2-ethyl-2-[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl] ester Related Literature

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