Cas no 92991-64-5 (Butanoic acid, 4-(4-formylphenoxy)-, ethyl ester)

Butanoic acid, 4-(4-formylphenoxy)-, ethyl ester structure
92991-64-5 structure
Product Name:Butanoic acid, 4-(4-formylphenoxy)-, ethyl ester
CAS No:92991-64-5
MF:C13H16O4
MW:236.263744354248
MDL:MFCD17010969
CID:752906
PubChem ID:15517709
Update Time:2025-04-19

Butanoic acid, 4-(4-formylphenoxy)-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid, 4-(4-formylphenoxy)-, ethyl ester
    • ethyl 4-(4-formylphenoxy)butanoate
    • 4-(4-formylphenoxy)butyric acid ethyl ester
    • SCHEMBL766897
    • DTXSID70573559
    • Ethyl 4-(4-formyl phenoxy)-butanoate
    • FT-0722328
    • 92991-64-5
    • ethyl 4-(4-formyl-phenoxy) butyrate
    • p-[3-(ethylcarboxy)propoxy] benzaldehyde
    • CS-0116976
    • AKOS000369778
    • QELMYVTXAHKHBG-UHFFFAOYSA-N
    • p-[3-(Ethylcarboxy)propoxy]benzaldehyde
    • MDL： MFCD17010969
    • Inchi： 1S/C13H16O4/c1-2-16-13(15)4-3-9-17-12-7-5-11(10-14)6-8-12/h5-8,10H,2-4,9H2,1H3
    • InChI Key： QELMYVTXAHKHBG-UHFFFAOYSA-N
    • SMILES： O(C1C=CC(C=O)=CC=1)CCCC(=O)OCC

Computed Properties

  • Exact Mass: 236.10485899g/mol
  • Monoisotopic Mass: 236.10485899g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 8
  • Complexity: 232
  • 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: 1.9
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 373.5±22.0 °C at 760 mmHg
  • Flash Point: 165.4±22.4 °C
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

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