Cas no 73310-11-9 (Docosahexaenoic acid,ethyl ester)

Docosahexaenoic acid,ethyl ester structure
73310-11-9 structure
Product Name:Docosahexaenoic acid,ethyl ester
CAS No:73310-11-9
MF:C24H36O2
MW:356.541447639465
CID:568665
PubChem ID:6440152
Update Time:2025-04-19

Docosahexaenoic acid,ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Docosahexaenoic acid,ethyl ester
    • ETHYL DOCOSAHEXAENOATE
    • (all-Z)-isomer, no locants for unsaturation of 4,7,10,13,16,19-docosahexaenoic acid ethyl ester
    • 73310-11-9
    • SCHEMBL375162
    • CCRIS 7132
    • CHEBI:167855
    • ethyl (2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoate
    • Docosahexaenoic acid, ethyl ester
    • EN300-27703291
    • 1020718-25-5
    • AMY31882
    • 2,4,6,8,10,12-Docosahexaenoic acid, ethyl ester
    • Inchi: 1S/C24H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h12-23H,3-11H2,1-2H3/b13-12+,15-14+,17-16+,19-18+,21-20+,23-22+
    • InChI Key: TYLNXKAVUJJPMU-DNKOKRCQSA-N
    • SMILES: O(C(/C=C/C=C/C=C/C=C/C=C/C=C/CCCCCCCCC)=O)CC

Computed Properties

  • Exact Mass: 356.27200
  • Monoisotopic Mass: 356.271530387g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 16
  • Complexity: 490
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 6
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 8.7
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Density: 0.914
  • Boiling Point: 481.2°C at 760 mmHg
  • Flash Point: 263.6°C
  • Refractive Index: 1.503
  • PSA: 26.30000
  • LogP: 7.02740
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