Chem
J-GLOBAL ID：200907075526282191   Nikkaji number：J45.962C

Isoamyl=benzoate

安息香酸イソアミル
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/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChI key： MLLAPOCBLWUFAP-UHFFFAOYSA-N
SMILES： CC(C)CCOC(=O)c1ccccc1
Systematic name  (7)：
  • イソアミル=ベンゾアート
  • 安息香酸3-メチルブチル
  • 安息香酸=イソペンチル
  • 安息香酸イソペンチル
  • 安息香酸イソアミル
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Other name (6)：
  • Benzoic acid isoamyl ester
  • Isoamyl=benzoate
  • Benzoic acid 3-methylbutyl ester
  • Benzoic acid=isopentyl ester
  • Benzoic acid isopentyl ester
Show all
CAS registry number： 94-46-2
Regulation number (4)：
  • DH3078000
  • (3)-1356
  • EINECS2023344
  • TSCA(94-46-2)
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