Chem
J-GLOBAL ID：200907005388880424   Nikkaji number：J82.489E

3-Phenylbutanal

3-フェニルブタナール
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： C10H12O
Molecular formula furigana： C10-H12-O
Molecular weight： 148.205
InChI： InChI=1S/C10H12O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3
InChI key： MYHGOWDLVRDUFA-UHFFFAOYSA-N
SMILES： CC(CC=O)c1ccccc1
Systematic name  (5)：
  • 3-フェニルブチルアルデヒド
  • 3-フェニルブタナール
  • β-メチルベンゼンプロパナール
  • 3-フェニル-1-ブタノン
  • 3-phenylbutanal
Other name (4)：
  • 3-Phenylbutanal
  • 3-Phenylbutyraldehyde
  • β-Methylbenzenepropanal
  • 3-Phenyl-1-butanone
CAS registry number： 16251-77-7
Regulation number (3)：
  • (3)-2656
  • EINECS2403629
  • TSCA(16251-77-7)
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