Cas no 139665-42-2 (Octadecanoic acid, 2-[(1-oxodecyl)oxy]-1-[[(1-oxodecyl)oxy]methyl]ethylester)

Octadecanoic acid, 2-[(1-oxodecyl)oxy]-1-[[(1-oxodecyl)oxy]methyl]ethylester is a synthetic ester compound derived from octadecanoic (stearic) acid and decanoic acid derivatives. This structured ester exhibits notable thermal stability and hydrophobic properties, making it suitable for applications requiring high-performance lubricants or emulsifiers. Its branched molecular architecture enhances solubility in nonpolar solvents, while the ester linkages contribute to hydrolytic resistance under controlled conditions. The compound's dual acyloxy groups provide functional versatility, allowing for potential use in polymer plasticization or as an intermediate in specialty chemical synthesis. Its defined molecular weight and purity make it a precise formulation component for industrial and research applications where consistent performance is critical.
Octadecanoic acid, 2-[(1-oxodecyl)oxy]-1-[[(1-oxodecyl)oxy]methyl]ethylester structure
139665-42-2 structure
Product Name:Octadecanoic acid, 2-[(1-oxodecyl)oxy]-1-[[(1-oxodecyl)oxy]methyl]ethylester
CAS No:139665-42-2
MF:C41H78O6
MW:667.054434299469
CID:1277953
PubChem ID:87173400
Update Time:2025-06-07

Octadecanoic acid, 2-[(1-oxodecyl)oxy]-1-[[(1-oxodecyl)oxy]methyl]ethylester Chemical and Physical Properties

Names and Identifiers

    • Octadecanoic acid, 2-[(1-oxodecyl)oxy]-1-[[(1-oxodecyl)oxy]methyl]ethylester
    • 139665-42-2
    • SCHEMBL896807
    • 2-(Stearoyloxy)propane-1,3-diyl bis(decanoate)
    • 1,3-didecanoyl-2-stearoyl-glycerol
    • Inchi: 1S/C41H78O6/c1-4-7-10-13-16-17-18-19-20-21-22-23-26-29-32-35-41(44)47-38(36-45-39(42)33-30-27-24-14-11-8-5-2)37-46-40(43)34-31-28-25-15-12-9-6-3/h38H,4-37H2,1-3H3
    • InChI Key: LPUQTSSESWRUBE-UHFFFAOYSA-N
    • SMILES: O(C(COC(CCCCCCCCC)=O)COC(CCCCCCCCC)=O)C(CCCCCCCCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 666.58014
  • Monoisotopic Mass: 666.57984020g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 47
  • Rotatable Bond Count: 40
  • Complexity: 659
  • 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: 16.5
  • Topological Polar Surface Area: 78.9?2

Experimental Properties

  • PSA: 78.9

Octadecanoic acid, 2-[(1-oxodecyl)oxy]-1-[[(1-oxodecyl)oxy]methyl]ethylester Pricemore >>

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