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Isocaproic acid

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Isocaproic acid
Names
Preferred IUPAC name 4-Methylpentanoic acid
Other names 4-Methylvaleric acid
4,4-Dimethylbutanoic acid
Isobutylacetic acid
Isohexanoic acid
Isohexoic acid
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
ECHA InfoCard 100.010.423 Edit this at Wikidata
PubChem CID
UNII
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)Key: FGKJLKRYENPLQH-UHFFFAOYSA-N
  • InChI=1/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)Key: FGKJLKRYENPLQH-UHFFFAOYAB
SMILES
  • CC(C)CCC(=O)O
Properties
Chemical formula C6H12O2
Molar mass 116.160 g·mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references
Chemical compound

Isocaproic acid, also known as 4-methylpentanoic acid or 4-methylvaleric acid, is a carboxylic acid of five carbons with methyl substitution at the fourth carbon.

References

  1. "4-methylpentanoic acid - C6H12O2 - ChemSynthesis". ChemSynthesis.com. Retrieved 16 December 2014.


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