3,5-Bis(1,1-dimethylethyl)benzoic acid

CAS Registry Number®

16225-26-6

CAS Name

3,5-Bis(1,1-dimethylethyl)benzoic acid

Molecular Formula

C15H22O2

Molecular Mass

234.33

Cite this Page

3,5-Bis(1,1-dimethylethyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16225-26-6 (retrieved 2024-11-22) (CAS RN: 16225-26-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    172.6-173.0 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H22O2/c1-14(2,3)11-7-10(13(16)17)8-12(9-11)15(4,5)6/h7-9H,1-6H3,(H,16,17)

InChIKey

InChIKey=NCTSLPBQVXUAHR-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3,5-bis(1,1-dimethylethyl)-
  • Benzoic acid, 3,5-di-tert-butyl-
  • 3,5-Bis(1,1-dimethylethyl)benzoic acid
  • 3,5-Di-tert-butylbenzoic acid
  • 3,5-Ditert-butylbenzoic acid

CAS INSIGHTSTM
Targeted protein degrader structure, illustration