Chem
J-GLOBAL ID：200907068257856880   Nikkaji number：J35.624G

4-tert-Butylbenzoic acid

4-tert-ブチル安息香酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C11H14O2
Molecular formula furigana： C11-H14-O2
Molecular weight： 178.231
InChI： InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)
InChI key： KDVYCTOWXSLNNI-UHFFFAOYSA-N
SMILES： CC(C)(C)c1ccc(cc1)C(=O)O
Systematic name  (6)：
  • 4-(1,1-ジメチルエチル)安息香酸
  • p-tert-ブチル安息香酸
  • 4-tert-ブチル安息香酸
  • 4-(tert-ブチル)安息香酸
  • p-(tert-ブチル)安息香酸
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Other name (7)：
  • TBBA
  • p-tert-Butylbenzoic acid
  • 4-tert-Butylbenzoic acid
  • PTBBA
  • 4-(tert-Butyl)benzoic acid
Show all
CAS registry number： 98-73-7
Regulation number (5)：
  • DG4708000
  • (3)-1338
  • EINECS2026963
  • TSCA(98-73-7)
  • UN-3077
KEGG COMPOUND： C14535
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