Cas no 146-81-6 (Benzoic acid,2-[4-(1,1-dimethylethyl)benzoyl]-)

Benzoic acid,2-[4-(1,1-dimethylethyl)benzoyl]- structure
146-81-6 structure
Product Name:Benzoic acid,2-[4-(1,1-dimethylethyl)benzoyl]-
CAS No:146-81-6
MF:C18H18O3
MW:282.333725452423
CID:177911
PubChem ID:67357
Update Time:2025-04-19

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

Names and Identifiers

    • Benzoic acid,2-[4-(1,1-dimethylethyl)benzoyl]-
    • 2-(4-tert-butylbenzoyl)benzoic acid
    • 2-[4-(1,1-dimethylethyl)benzoyl]benzoic acid
    • 2-(4-(1,1-Dimethylethyl)benzoyl)benzoic acid
    • Benzoic acid, 2-(4-(1,1-dimethylethyl)benzoyl)-
    • o-(p-tert-Butylbenzoyl)benzoic acid
    • SCHEMBL11176158
    • CR4TB3CHW3
    • NS00024806
    • EINECS 205-680-4
    • 2-(4-tert-Butyl-benzoyl)-benzoic acid
    • Benzoic acid, 2-[4-(1,1-dimethylethyl)benzoyl]-
    • 146-81-6
    • DTXSID1059731
    • UNII-CR4TB3CHW3
    • AKOS009144669
    • Inchi： 1S/C18H18O3/c1-18(2,3)13-10-8-12(9-11-13)16(19)14-6-4-5-7-15(14)17(20)21/h4-11H,1-3H3,(H,20,21)
    • InChI Key： KFTGETZSJFJXEO-UHFFFAOYSA-N
    • SMILES： O=C(C1C=CC=CC=1C(=O)O)C1C=CC(=CC=1)C(C)(C)C

Computed Properties

  • Exact Mass: 282.12564
  • Monoisotopic Mass: 282.125594
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 386
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 54.4

Experimental Properties

  • Density: 1.144
  • Boiling Point: 462.7°Cat760mmHg
  • Flash Point: 247.8°C
  • Refractive Index: 1.573
  • PSA: 54.37

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