Isocaproic acid

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	646-07-1 ;
3D model (JSmol)	Interactive image ;
ChEBI	CHEBI:74903 ;
ChemSpider	12067 ;
ECHA InfoCard	100.010.423
PubChem CID	12587 ;
UNII	4G4U8JA28T ;
CompTox Dashboard (EPA)	DTXSID8060951 ;
	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−1
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Last updated June 08, 2025

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

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

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

[1]

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	646-07-1 ^[1]
3D model (JSmol)	Interactive image
ChEBI	CHEBI:74903
ChemSpider	12067
ECHA InfoCard	100.010.423
PubChem CID	12587
UNII	4G4U8JA28T ^Y
CompTox Dashboard (EPA)	DTXSID8060951
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⁻¹
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references