Cas no 127098-14-0 (Hexacosanoic acid, 2,3-dihydroxypropyl ester)

Hexacosanoic acid, 2,3-dihydroxypropyl ester structure
127098-14-0 structure
Product Name:Hexacosanoic acid, 2,3-dihydroxypropyl ester
CAS No:127098-14-0
MF:C29H58O4
MW:470.768430233002
CID:1220850
PubChem ID:14542802
Update Time:2025-04-20

Hexacosanoic acid, 2,3-dihydroxypropyl ester Chemical and Physical Properties

Names and Identifiers

    • Hexacosanoic acid, 2,3-dihydroxypropyl ester
    • Glyceryl hexacosanoate
    • [ "" ]
    • Glyceryl-1-hexacosanoate
    • 2,3-dihydroxypropyl hexacosanoate
    • Glycerylhexacosanoate
    • MG 26:0
    • DTXSID701299457
    • MAG 26:0
    • AKOS025287896
    • 127098-14-0
    • hexacosanoic acid 2,3-dihydroxypropyl ester
    • Inchi: 1S/C29H58O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29(32)33-27-28(31)26-30/h28,30-31H,2-27H2,1H3
    • InChI Key: QAJHAMGOPUEFRR-UHFFFAOYSA-N
    • SMILES: O(CC(CO)O)C(CCCCCCCCCCCCCCCCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 470.43400
  • Monoisotopic Mass: 470.43351033g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 28
  • Complexity: 386
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 11.7
  • Topological Polar Surface Area: 66.8?2

Experimental Properties

  • Color/Form: Powder
  • Density: 0.930±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 571.9±30.0 °C at 760 mmHg
  • Flash Point: 169.8±18.1 °C
  • Solubility: Insuluble (1.9E-5 g/L) (25 oC),
  • PSA: 66.76000
  • LogP: 8.26510
  • Vapor Pressure: 0.0±3.6 mmHg at 25°C

Hexacosanoic acid, 2,3-dihydroxypropyl ester Security Information

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