Chem
J-GLOBAL ID：200907015655991520   Nikkaji number：J49.658H

4-Methylpentanal

4-メチルペンタナール
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： C6H12O
Molecular formula furigana： C6-H12-O
Molecular weight： 100.161
InChI： InChI=1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3
InChI key： JGEGJYXHCFUMJF-UHFFFAOYSA-N
SMILES： CC(C)CCC=O
Systematic name  (3)：
  • 4-メチルバレルアルデヒド
  • 4-メチルペンタナール
  • 4-methylpentanal
Other name (4)：
  • Isocaproaldehyde
  • イソカプロアルデヒド
  • 4-Methylpentanal
  • 4-Methylvaleraldehyde
CAS registry number： 1119-16-0
Regulation number (4)：
  • YV4200000
  • EINECS2142730
  • TSCA(1119-16-0)
  • (2)-494
KEGG COMPOUND： C02373
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