3-(1,1-Dimethylethyl)-5-methylbenzoic acid

CAS Registry Number®

17484-28-5
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CAS Name

3-(1,1-Dimethylethyl)-5-methylbenzoic acid

Molecular Formula

C12H16O2

Molecular Mass

192.25

Cite this Page

3-(1,1-Dimethylethyl)-5-methylbenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17484-28-5 (retrieved 2024-08-22) (CAS RN: 17484-28-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    163-164 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H16O2/c1-8-5-9(11(13)14)7-10(6-8)12(2,3)4/h5-7H,1-4H3,(H,13,14)

InChIKey

InChIKey=KFTYUKLBWUVVPI-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)C=1C=C(C=C(C1)C(C)(C)C)C

Other Names for this Substance

  • Benzoic acid, 3-(1,1-dimethylethyl)-5-methyl-
  • m-Toluic acid, 5-tert-butyl-
  • 3-(1,1-Dimethylethyl)-5-methylbenzoic acid
  • 3-tert-Butyl-5-methylbenzoic acid