Cas no 35028-15-0 (1-(3,4-Dimethylphenyl)butan-1-one)

1-(3,4-Dimethylphenyl)butan-1-one structure
35028-15-0 structure
Product Name:1-(3,4-Dimethylphenyl)butan-1-one
CAS No:35028-15-0
MF:C12H16O
MW:176.254843711853
MDL:MFCD11211416
CID:1071389
PubChem ID:12399439
Update Time:2025-09-25

1-(3,4-Dimethylphenyl)butan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-(3,4-Dimethylphenyl)butan-1-one
    • 3',4'-dimethylbiphenyl-4-carbaldehyde
    • 3',4'-Dimethyl-biphenyl-4-carbaldehyde
    • 3,4-dimethylbutyrophenone
    • AC1MBYEK
    • AG-A-46505
    • CTK1C6228
    • 1-Butanone, 1-(3,4-dimethylphenyl)-
    • 1-(3,4-Dimethyl-phenyl)-butan-1-one
    • CS-0327625
    • DTXSID801300596
    • 3',4'-Dimethylbutyrophenone
    • 35028-15-0
    • AKOS000265295
    • SCHEMBL5565698
    • ALBB-020816
    • 1-(3,4-Dimethylphenyl)-1-butanone
    • MDL： MFCD11211416
    • Inchi： 1S/C12H16O/c1-4-5-12(13)11-7-6-9(2)10(3)8-11/h6-8H,4-5H2,1-3H3
    • InChI Key： IZIFAKHVXFCHDW-UHFFFAOYSA-N
    • SMILES： O=C(C1C=CC(C)=C(C)C=1)CCC

Computed Properties

  • Exact Mass: 176.12018
  • Monoisotopic Mass: 176.120115130g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 174
  • 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: 3.2
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07

1-(3,4-Dimethylphenyl)butan-1-one Security Information

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

1-(3,4-Dimethylphenyl)butan-1-one Pricemore >>

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