Cas no 50262-49-2 (Butanoic acid,4-formylphenyl ester)

Butanoic acid,4-formylphenyl ester structure
50262-49-2 structure
Product Name:Butanoic acid,4-formylphenyl ester
CAS No:50262-49-2
MF:C11H12O3
MW:192.211183547974
MDL:MFCD00021058
CID:371620
PubChem ID:123520
Update Time:2025-04-19

Butanoic acid,4-formylphenyl ester Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid,4-formylphenyl ester
    • (4-formylphenyl) butanoate
    • P-BUTYRYLOXYBENZALDEHYDE
    • P-FORMYLPHENYL BUTYRATE ---INTERMEDIATE FOR LIQUID CRYSTALS---
    • 4-butyroxybenzaldehyde
    • 4-Butyryloxybenzaldehyde
    • 4-ethylacetoxy benzaldehyde
    • 4-formylphenyl butanoate
    • 4-Formylphenyl butyrate
    • P-ButyrYl-Oxybenzaldehyde
    • MFCD00021058
    • 50262-49-2
    • DTXSID5068528
    • DAFTVVBQFUITOL-UHFFFAOYSA-N
    • AKOS006242758
    • FT-0639892
    • A828036
    • p-Formylphenyl Butyrate
    • Butanoic acid, 4-formylphenyl ester
    • SCHEMBL1665645
    • 4-Formylphenyl butyrate #
    • MDL： MFCD00021058
    • Inchi： 1S/C11H12O3/c1-2-3-11(13)14-10-6-4-9(8-12)5-7-10/h4-8H,2-3H2,1H3
    • InChI Key： DAFTVVBQFUITOL-UHFFFAOYSA-N
    • SMILES： O(C1C=CC(C=O)=CC=1)C(CCC)=O

Computed Properties

  • Exact Mass: 192.07900
  • Monoisotopic Mass: 192.078644
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 193
  • 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
  • Topological Polar Surface Area: 43.4
  • XLogP3: 2

Experimental Properties

  • Density: 1.119
  • Boiling Point: 304.5°C at 760 mmHg
  • Flash Point: 132.8°C
  • Refractive Index: 1.536
  • PSA: 43.37000
  • LogP: 2.20460

Butanoic acid,4-formylphenyl ester Pricemore >>

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