Chem
J-GLOBAL ID：200907063869085202   Nikkaji number：J208.167I

5-tert-Butylisophthalic acid

5-tert-ブチルイソフタル酸
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： C12H14O4
Molecular formula furigana： C12-H14-O4
Molecular weight： 222.240
InChI： InChI=1S/C12H14O4/c1-12(2,3)9-5-7(10(13)14)4-8(6-9)11(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16)
InChI key： BJLUCDZIWWSFIB-UHFFFAOYSA-N
SMILES： CC(C)(C)c1cc(cc(c1)C(=O)O)C(=O)O
Systematic name  (7)：
  • 5-tert-ブチル-1,3-ベンゼンジカルボン酸
  • 5-(1,1-ジメチルエチル)-1,3-ベンゼンジカルボン酸
  • 5-tert-ブチルイソフタル酸
  • 5-(tert-ブチル)-1,3-ベンゼンジカルボン酸
  • 5-(tert-ブチル)イソフタル酸
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Other name (6)：
  • 5-tert-ブチル-m-フタル酸
  • 5-tert-Butyl-m-phthalic acid
  • 5-(1,1-Dimethylethyl)-1,3-benzenedicarboxylic acid
  • 5-tert-Butylisophthalic acid
  • 5-(tert-Butyl)-1,3-benzenedicarboxylic acid
Show all
CAS registry number： 2359-09-3
Regulation number (2)：
  • EINECS2191002
  • TSCA(2359-09-3)
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