Hexanoic acid

Hexanoic acid
Names


IUPAC name Hexanoic acid
Other names Caproic acid; n-Caproic acid; C6:0 (Lipid numbers)
Identifiers
CAS Number	142-62-1^Y
3D model (Jmol)	Interactive image
ChEBI	CHEBI:30776^Y
ChEMBL	ChEMBL14184^Y
ChemSpider	8552^Y
ECHA InfoCard	100.005.046
KEGG	C01585^Y
PubChem	8892
UNII	1F8SN134MX^Y
InChI InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)^Y Key: FUZZWVXGSFPDMH-UHFFFAOYSA-N^Y InChI=1/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8) Key: FUZZWVXGSFPDMH-UHFFFAOYAY
SMILES CCCCCC(=O)O
Properties
Chemical formula	C₆H₁₂O₂
Molar mass	116.16 g·mol⁻¹
Appearance	Oily liquid
Odor	goat-like
Density	0.929 g/cm³
Melting point	−3.4 °C (25.9 °F; 269.8 K)
Boiling point	205.8 °C (402.4 °F; 478.9 K)
Solubility in water	1.082 g/100 mL
Solubility	soluble in ethanol, ether
Acidity (pK_a)	4.88
Magnetic susceptibility (χ)	-78.55·10⁻⁶ cm³/mol
Refractive index (n_D)	1.4170
Viscosity	3.1 mP
Hazards
NFPA 704	1 3 0
Flash point	103 °C (217 °F; 376 K)
Autoignition temperature	380 °C (716 °F; 653 K)
Explosive limits	1.3-9.3%
Lethal dose or concentration (LD, LC):
LD₅₀ (median dose)	3000 mg/kg (rat, oral)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Y (what is ^YN ?)
Infobox references

Hexanoic acid (caproic acid) is the carboxylic acid derived from hexane with the general formula C₅H₁₁COOH. It is a colorless oily liquid with an odor that is fatty, cheesy, waxy, and like that of goats or other barnyard animals. It is a fatty acid found naturally in various animal fats and oils, and is one of the chemicals that give the decomposing fleshy seed coat of the ginkgo its characteristic unpleasant odor. It is also one of the components of vanilla. The primary use of hexanoic acid is in the manufacture of its esters for artificial flavors, and in the manufacture of hexyl derivatives, such as hexylphenols.

The salts and esters of this acid are known as hexanoates or caproates.

Two other acids are named after goats: caprylic (C8) and capric (C10). Along with hexanoic acid, these total 15% in goat milk fat.

Caproic, caprylic, and capric acids (capric is a crystal- or wax-like substance, whereas the other two are mobile liquids) are not only used for the formation of esters, but also commonly used "neat" in: butter, milk, cream, strawberry, bread, beer, nut, and other flavors.

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