Cas no 25354-60-3 (Dodecanoic acid,1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester)

Dodecanoic acid,1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester structure
25354-60-3 structure
Product Name:Dodecanoic acid,1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester
CAS No:25354-60-3
MF:C29H56O6
MW:500.751350402832
CID:269101
PubChem ID:91422
Update Time:2025-04-19

Dodecanoic acid,1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester Chemical and Physical Properties

Names and Identifiers

    • Dodecanoic acid,1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester
    • [2-(dodecanoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] dodecanoate
    • 2,2-bis(hydroxymethyl)propane-1,3-diyl didodecanoate
    • 2,2-Bis(hydroxymethyl)propane-1,3-diyl dilaurate
    • DTXSID70179999
    • 25354-60-3
    • SCHEMBL2704205
    • [2-(Dodecanoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl]dodecanoate
    • NS00027870
    • EINECS 246-881-7
    • Inchi： 1S/C29H56O6/c1-3-5-7-9-11-13-15-17-19-21-27(32)34-25-29(23-30,24-31)26-35-28(33)22-20-18-16-14-12-10-8-6-4-2/h30-31H,3-26H2,1-2H3
    • InChI Key： DAIYEXZQVXSNAT-UHFFFAOYSA-N
    • SMILES： O(C(CCCCCCCCCCC)=O)CC(CO)(CO)COC(CCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 500.40788
  • Monoisotopic Mass: 500.408
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 28
  • Complexity: 450
  • 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: 9.1
  • Topological Polar Surface Area: 93.1?2

Experimental Properties

  • Density: 0.983
  • Boiling Point: 552.4°Cat760mmHg
  • Flash Point: 160.7°C
  • Refractive Index: 1.473
  • PSA: 93.06

Dodecanoic acid,1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester Related Literature

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