Cas no 31592-26-4 (Benzoic acid, 2-benzoyl-4-(1,1-dimethylethyl)-)

Benzoic acid, 2-benzoyl-4-(1,1-dimethylethyl)- structure
31592-26-4 structure
Product Name:Benzoic acid, 2-benzoyl-4-(1,1-dimethylethyl)-
CAS No:31592-26-4
MF:C18H18O3
MW:282.333725452423
CID:2948610
Update Time:2025-03-29

Benzoic acid, 2-benzoyl-4-(1,1-dimethylethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2-benzoyl-4-(1,1-dimethylethyl)-
    • Inchi: 1S/C18H18O3/c1-18(2,3)13-9-10-14(17(20)21)15(11-13)16(19)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,21)
    • InChI Key: YOQDGPBVHQXIMR-UHFFFAOYSA-N
    • SMILES: C(O)(=O)C1=CC=C(C(C)(C)C)C=C1C(=O)C1=CC=CC=C1

Experimental Properties

  • Density: 1.144±0.06 g/cm3(Predicted)
  • Melting Point: 163-164 °C
  • Boiling Point: 458.2±45.0 °C(Predicted)
  • pka: 3.74±0.10(Predicted)
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