Chem
J-GLOBAL ID：200907035390399217   Nikkaji number：J47.347B

4-tert-Butylbenzoic acid methyl

4-tert-ブチル安息香酸メチル
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： C12H16O2
Molecular formula furigana： C12-H16-O2
Molecular weight： 192.258
InChI： InChI=1S/C12H16O2/c1-12(2,3)10-7-5-9(6-8-10)11(13)14-4/h5-8H,1-4H3
InChI key： UPIJOAFHOIWPLT-UHFFFAOYSA-N
SMILES： COC(=O)c1ccc(cc1)C(C)(C)C
Systematic name  (5)：
  • 4-(1,1-ジメチルエチル)安息香酸メチル
  • 4-tert-ブチル安息香酸メチル
  • p-(tert-ブチル)安息香酸メチル
  • メチル 4-tert-ブチルベンゾアート
  • methyl 4-tert-butylbenzoate
Other name (6)：
  • 4-tert-Butylbenzoic acid methyl ester
  • メチル=4-tert-ブチルベンゾアート
  • 4-tert-Butylbenzoic acid methyl
  • 4-(1,1-Dimethylethyl)benzoic acid methyl
  • Methyl 4-tert-butylbenzoate
Show all
CAS registry number： 26537-19-9
Regulation number (2)：
  • EINECS2477685
  • (3)-4345
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