Cas no 158425-62-8 (Benzoic acid, 2-(2,4-diethylbenzoyl)-)

Benzoic acid, 2-(2,4-diethylbenzoyl)- structure
158425-62-8 structure
Product Name:Benzoic acid, 2-(2,4-diethylbenzoyl)-
CAS No:158425-62-8
MF:C18H18O3
MW:282.333725452423
CID:1336681
Update Time:2024-08-17

Benzoic acid, 2-(2,4-diethylbenzoyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2-(2,4-diethylbenzoyl)-
    • Inchi： 1S/C18H18O3/c1-3-12-9-10-14(13(4-2)11-12)17(19)15-7-5-6-8-16(15)18(20)21/h5-11H,3-4H2,1-2H3,(H,20,21)
    • InChI Key： MYLFBFFYFOVSMJ-UHFFFAOYSA-N
    • SMILES： C(O)(=O)C1=CC=CC=C1C(=O)C1=CC=C(CC)C=C1CC

Computed Properties

  • Exact Mass: 282.12564

Experimental Properties

  • Density: 1.149±0.06 g/cm3(Predicted)
  • Melting Point: 114-116 °C
  • Boiling Point: 494.1±45.0 °C(Predicted)
  • PSA: 54.37
  • pka: 3.33±0.36(Predicted)

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