3-Methylbutanoic acid

3-Methylbutanoic acid

Names
Preferred IUPAC name 3-Methylbutanoic acid
Other names Delphinic acid 3-Methylbutyric acid Isopentanoic acid Isovaleric acid
Identifiers
CAS Number	503-74-2 Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:28484 Y
ChEMBL	ChEMBL568737 Y
ChemSpider	10001 Y
DrugBank	DB03750 Y
ECHA InfoCard	100.007.251
EC Number	207-975-3
KEGG	C08262 Y
PubChem CID	10430
UNII	1BR7X184L5 Y
CompTox Dashboard (EPA)	DTXSID5029182
InChI InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7) Y Key: GWYFCOCPABKNJV-UHFFFAOYSA-N Y InChI=1/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7) Key: GWYFCOCPABKNJV-UHFFFAOYAV
SMILES O=C(O)CC(C)C
Properties
Chemical formula	C5H10O2
Molar mass	102.13 g/mol
Density	0.925 g/cm3
Melting point	−29 °C (−20 °F; 244 K)
Boiling point	176.5 °C (349.7 °F; 449.6 K)
log P	1.16
Acidity (pKa)	4.8 (H2O)
Magnetic susceptibility (χ)	-67.7·10−6 cm3/mol
Related compounds
Related carboxylic acids	butyric acid β-hydroxybutyric acid β-hydroxy β-methylbutyric acid
Related compounds	Valeric acid
Hazards
GHS labelling:[1]
Pictograms
Signal word	Danger
Hazard statements	H314
Precautionary statements	P280, P301+P330+P331, P303+P361+P353, P304+P340+P310, P305+P351+P338, P363
Flash point	80 °C (176 °F; 353 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

3-Methylbutanoic acid, also known as β-methylbutyric acid or more commonly isovaleric acid, is a branched-chain alkyl carboxylic acid with the chemical formula (CH₃)₂CHCH₂CO₂H. It is classified as a short-chain fatty acid. Like other low-molecular-weight carboxylic acids, it has an unpleasant odor. The compound occurs naturally and can be found in many foods, such as cheese, soy milk, and apple juice.