Chem
J-GLOBAL ID：200907095424314588   Nikkaji number：J182.126A

1,2,3-Trimethyl-5-tert-butylbenzene

1,2,3-トリメチル-5-tert-ブチルベンゼン
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： C13H20
Molecular formula furigana： C13-H20
Molecular weight： 176.303
InChI： InChI=1S/C13H20/c1-9-7-12(13(4,5)6)8-10(2)11(9)3/h7-8H,1-6H3
InChI key： ZQVJKYPEIPJEIP-UHFFFAOYSA-N
SMILES： Cc1cc(cc(C)c1C)C(C)(C)C
Systematic name  (3)：
  • 5-tert-ブチル-1,2,3-トリメチルベンゼン
  • 1,2,3-トリメチル-5-tert-ブチルベンゼン
  • 5-tert-butyl-1,2,3-trimethylbenzene
Other name (2)：
  • 5-tert-Butyl-1,2,3-trimethylbenzene
  • 1,2,3-Trimethyl-5-tert-butylbenzene
CAS registry number： 98-23-7
Regulation number (2)：
  • EINECS2026481
  • TSCA(98-23-7)
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