Cas no 139176-78-6 (Benzoic acid, 3-[2,2-bis[4-(2-methylpropyl)phenyl]ethyl]-)

Benzoic acid, 3-[2,2-bis[4-(2-methylpropyl)phenyl]ethyl]- structure
139176-78-6 structure
Product Name:Benzoic acid, 3-[2,2-bis[4-(2-methylpropyl)phenyl]ethyl]-
CAS No:139176-78-6
MF:C29H34O2
MW:414.579068660736
CID:1262251
Update Time:2024-08-04

Benzoic acid, 3-[2,2-bis[4-(2-methylpropyl)phenyl]ethyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3-[2,2-bis[4-(2-methylpropyl)phenyl]ethyl]-
    • Inchi： 1S/C29H34O2/c1-20(2)16-22-8-12-25(13-9-22)28(19-24-6-5-7-27(18-24)29(30)31)26-14-10-23(11-15-26)17-21(3)4/h5-15,18,20-21,28H,16-17,19H2,1-4H3,(H,30,31)
    • InChI Key： VYISKCZAALAAHN-UHFFFAOYSA-N
    • SMILES： C(O)(=O)C1=CC=CC(CC(C2=CC=C(CC(C)C)C=C2)C2=CC=C(CC(C)C)C=C2)=C1

Computed Properties

  • Exact Mass: 414.25602

Experimental Properties

  • Density: 1.058±0.06 g/cm3(Predicted)
  • Boiling Point: 533.5±29.0 °C(Predicted)
  • PSA: 37.3
  • pka: 4.25±0.10(Predicted)

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