Chem
J-GLOBAL ID：200907026846992870   Nikkaji number：J47.113E

3-Methylbutanoic acid methyl

3-メチルブタン酸メチル
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： C6H12O2
Molecular formula furigana： C6-H12-O2
Molecular weight： 116.160
InChI： InChI=1S/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3
InChI key： OQAGVSWESNCJJT-UHFFFAOYSA-N
SMILES： COC(=O)CC(C)C
Systematic name  (7)：
  • 3-メチル酪酸メチル
  • メチル=イソバレラート
  • 3-メチルブタン酸メチル
  • イソ吉草酸メチル
  • イソバレリアン酸メチル
Show all
Other name (6)：
  • Methyl isovalerate
  • 3-Methylbutanoic acid methyl ester
  • Isovaleric acid methyl ester
  • Methyl=isovalerate
  • 3-Methylbutanoic acid methyl
Show all
CAS registry number： 556-24-1
Regulation number (4)：
  • NY1510000
  • (2)-776
  • EINECS2091173
  • TSCA(556-24-1)
Thsaurus map：
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