Cas no 80120-34-9 (Ethyl 2,4,5-trimethylbenzoylformate)

Ethyl 2,4,5-trimethylbenzoylformate structure
80120-34-9 structure
Product Name:Ethyl 2,4,5-trimethylbenzoylformate
CAS No:80120-34-9
MF:C13H16O3
MW:220.264344215393
CID:1067805
PubChem ID:24722287
Update Time:2025-04-20

Ethyl 2,4,5-trimethylbenzoylformate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 2,4,5-trimethylbenzoylformate
    • (2,4,5-trimethyl-phenyl)-glyoxylic acid ethyl ester
    • (2,4,5-Trimethyl-phenyl)-glyoxylsaeure-aethylester
    • AG-H-21359
    • CTK5E7477
    • ethyl 2,4,5-trimethylbenzoylformate, AldrichCPR
    • ETHYL2,4,5-TRIMETHYLBENZOYLFORMATE
    • AKOS016017571
    • Ethyl oxo(2,4,5-trimethylphenyl)acetate
    • ethyl 2-oxo-2-(2,4,5-trimethylphenyl)acetate
    • 80120-34-9
    • DTXSID90641300
    • MFCD09801443
    • MDL: MFCD09801443
    • Inchi: 1S/C13H16O3/c1-5-16-13(15)12(14)11-7-9(3)8(2)6-10(11)4/h6-7H,5H2,1-4H3
    • InChI Key: PAYYIZNLYOSVAN-UHFFFAOYSA-N
    • SMILES: O(CC)C(C(C1=CC(C)=C(C)C=C1C)=O)=O

Computed Properties

  • Exact Mass: 220.109944368g/mol
  • Monoisotopic Mass: 220.109944368g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 272
  • 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: 3.1
  • Topological Polar Surface Area: 43.4?2

Ethyl 2,4,5-trimethylbenzoylformate Security Information

  • Hazard Category Code: 22
  • Hazardous Material Identification: Xn

Ethyl 2,4,5-trimethylbenzoylformate Pricemore >>

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