Cas no 67468-54-6 (4-(2-methylbutan-2-yl)benzaldehyde)

4-(2-methylbutan-2-yl)benzaldehyde structure
67468-54-6 structure
Product Name:4-(2-methylbutan-2-yl)benzaldehyde
CAS No:67468-54-6
MF:C12H16O
MW:176.254843711853
MDL:MFCD00192382
CID:58586
PubChem ID:473780
Update Time:2025-04-18

4-(2-methylbutan-2-yl)benzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 4-tert-Pentylbenzaldehyde
    • 4-tert-Amylbenzaldehyde
    • 4-(2-methylbutan-2-yl)benzaldehyde
    • Benzaldehyde, 4-(1,1-dimethylpropyl)-
    • P-TERT,-AMYLBENZALDEHYDE
    • 4-TERT-PENTYL-BENZALDEHYDE
    • 4-(1,1-dimethylpropyl)benzaldehyde
    • 67468-54-6
    • AKOS014320887
    • 4-(TERT-PENTYL)BENZALDEHYDE
    • 4-(1,1-Dimethylpropyl)-benzaldehyde
    • SCHEMBL846398
    • CFMSVJPRGKKHRS-UHFFFAOYSA-N
    • FT-0654671
    • CS-W000559
    • A835759
    • MFCD00192382
    • p-tert.amyl-benzaldehyde
    • DTXSID20332976
    • AS-30508
    • MDL: MFCD00192382
    • Inchi: 1S/C12H16O/c1-4-12(2,3)11-7-5-10(9-13)6-8-11/h5-9H,4H2,1-3H3
    • InChI Key: CFMSVJPRGKKHRS-UHFFFAOYSA-N
    • SMILES: O=CC1C=CC(=CC=1)C(C)(C)CC

Computed Properties

  • Exact Mass: 176.12000
  • Monoisotopic Mass: 176.12
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 164
  • 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: 17.1A^2
  • XLogP3: 3.6

Experimental Properties

  • Density: 0.956
  • Boiling Point: 259 oC
  • Flash Point: 104 oC
  • PSA: 17.07000
  • LogP: 3.18670

4-(2-methylbutan-2-yl)benzaldehyde Pricemore >>

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