2-[4-(1,1-Dimethylethyl)benzoyl]benzoic acid

CAS Registry Number®

146-81-6

CAS Name

2-[4-(1,1-Dimethylethyl)benzoyl]benzoic acid

Molecular Formula

C18H18O3

Molecular Mass

282.33

Cite this Page

2-[4-(1,1-Dimethylethyl)benzoyl]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=146-81-6 (retrieved 2024-11-28) (CAS RN: 146-81-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    152-153 °C

Source(s)

Other Names and Identifiers

InChI

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)

InChIKey

InChIKey=KFTGETZSJFJXEO-UHFFFAOYSA-N

SMILES

C(=O)(C1=C(C(O)=O)C=CC=C1)C2=CC=C(C(C)(C)C)C=C2

Canonical SMILES

O=C(O)C=1C=CC=CC1C(=O)C2=CC=C(C=C2)C(C)(C)C

Other Names for this Substance

  • Benzoic acid, 2-[4-(1,1-dimethylethyl)benzoyl]-
  • Benzoic acid, o-(p-tert-butylbenzoyl)-
  • 2-[4-(1,1-Dimethylethyl)benzoyl]benzoic acid
  • o-(p-tert-Butylbenzoyl)benzoic acid
  • 2-(4-tert-Butyl-benzoyl)-benzoic acid

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