Chem
J-GLOBAL ID：200907085981776190   Nikkaji number：J267.356H

4-Methyloctanoic acid

4-メチルオクタン酸
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： C9H18O2
Molecular formula furigana： C9-H18-O2
Molecular weight： 158.241
InChI： InChI=1S/C9H18O2/c1-3-4-5-8(2)6-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChI key： LEGGANXCVQPIAI-UHFFFAOYSA-N
SMILES： CCCCC(C)CCC(=O)O
Systematic name  (2)：
  • 4-メチルオクタン酸
  • 4-methyloctanoic acid
Other name (1)：
  • 4-Methyloctanoic acid
CAS registry number： 54947-74-9
Regulation number (3)：
  • EINECS2594042
  • TSCA(54947-74-9)
  • (2)-608
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