n-Caproic Acid
Structural Formula Vector Image
Title: n-Caproic Acid
CAS Registry Number: 142-62-1
CAS Name: Hexanoic acid
Molecular Formula: C6H12O2
Molecular Weight: 116.16
Percent Composition: C 62.04%, H 10.41%, O 27.55%
Line Formula: CH3(CH2)4COOH
Literature References: Occurs in milk fats (about 2%), in coconut oil (<1%), various palm and other oils. Prepn: Vliet et al., Org. Synth. coll. vol. II, 417 (1943); Reid, Ruhoff, ibid., 475. Manuf by catalytic reduction of corresponding b-lactone: Caldwell, US 2484486 (1949 to Kodak); from oleic acid: Follett, Murray, US 2580417 (1952 to Arthur D. Little); from castor oil or a ricinoleate: Steadman, Peterson, US 2847432 (1958 to National Res. Corp.); by ozonolysis of tall oil unsaturated fatty acids: Maggiolo, US 2865937 (1958 to Welsbach); from 1,3-butadiene and potassium acetate in presence of NaNH2: Schmerling, Toekelt, US 3075010 (1963 to Universal Oil Prod.); from cyclohexanol: Bartlett, Lippincott, US 3121728 (1964 to Esso); by catalytic oxidation of n-hexanol: Hay, US 3173933 (1965 to General Electric). Toxicity study: H. F. Smyth, C. P. Carpenter, J. Ind. Hyg. Toxicol. 26, 269 (1944). Review: Fatty Acids Part 1, K. S. Markley, Ed. (Interscience, New York, 2nd ed., 1960) pp 34, 37.
Properties: Oily liquid, bp 205°. Characteristic goat-like odor. mp -3.4°. d420 0.9265. nD20 1.4163. Slightly soluble in water (1.082 g/100 g); readily soluble in ethanol, ether. LD50 orally in rats: 3.0 g/kg (Smyth, Carpenter).
Melting point: mp -3.4°
Boiling point: bp 205°
Index of refraction: nD20 1.4163
Density: d420 0.9265
Toxicity data: LD50 orally in rats: 3.0 g/kg (Smyth, Carpenter)
Use: Manuf of esters for artificial flavors, and of hexyl derivatives, especially hexylphenols, hexylresorcinol, etc.

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