Cas no 56041-76-0 (1-Pentanone, 1-(3,4-dimethylphenyl)-)

1-Pentanone, 1-(3,4-dimethylphenyl)-, is a specialized ketone compound featuring a pentanone backbone substituted with a 3,4-dimethylphenyl group. This structure imparts distinct chemical properties, making it valuable in organic synthesis and intermediate applications. The presence of the dimethylphenyl moiety enhances its reactivity in electrophilic and nucleophilic transformations, while the ketone functionality offers versatility in further derivatization. Its well-defined molecular architecture ensures consistent performance in synthetic pathways, particularly in the preparation of fine chemicals and pharmaceuticals. The compound's stability under standard conditions and compatibility with common solvents further contribute to its utility in research and industrial processes.
1-Pentanone, 1-(3,4-dimethylphenyl)- structure
56041-76-0 structure
Product Name:1-Pentanone, 1-(3,4-dimethylphenyl)-
CAS No:56041-76-0
MF:C13H18O
MW:190.281424045563
MDL:MFCD11211417
CID:349987
PubChem ID:12399440
Update Time:2025-10-29

1-Pentanone, 1-(3,4-dimethylphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 1-Pentanone, 1-(3,4-dimethylphenyl)-
    • 1-(3,4-dimethylphenyl)pentan-1-one
    • DTXSID90496397
    • 56041-76-0
    • 1-(3,4-Dimethyl-phenyl)-pentan-1-one
    • MDL： MFCD11211417
    • Inchi： 1S/C13H18O/c1-4-5-6-13(14)12-8-7-10(2)11(3)9-12/h7-9H,4-6H2,1-3H3
    • InChI Key： OTEYXUIWZPUDBL-UHFFFAOYSA-N
    • SMILES： O=C(C1C=CC(C)=C(C)C=1)CCCC

Computed Properties

  • Exact Mass: 190.13584
  • Monoisotopic Mass: 190.135765193g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 186
  • 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: 3.7
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07

1-Pentanone, 1-(3,4-dimethylphenyl)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB435511-1 g
1-(3,4-Dimethylphenyl)pentan-1-one
 56041-76-0
1g
 €635.40 2023-07-18
abcr
AB435511-1g
1-(3,4-Dimethylphenyl)pentan-1-one; .
 56041-76-0
1g
 €1285.20 2025-04-17

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