Isovaleric Acid
Title: Isovaleric Acid
CAS Registry Number: 503-74-2
CAS Name: 3-Methylbutanoic acid
Additional Names: isovalerianic acid; isopropylacetic acid; delphinic acid
Molecular Formula: C5H10O2
Molecular Weight: 102.13
Percent Composition: C 58.80%, H 9.87%, O 31.33%
Line Formula: (CH3)2CHCH2COOH
Literature References: Occurs in hop oil, tobacco and several other plants: Schmeltz et al., J. Assoc. Off. Agric. Chem. 46, 779 (1963). Prepn: Caldwell, US 2484486 (1949 to Kodak); Gustak, Sajko, Ark. Kemi 24, 11 (1952), C.A. 49, 163e (1955); L'vov et al., Zh. Prikl. Khim. 35, 700 (1962). "Valeric" acid of commerce is isovaleric acid. Toxicity data: L. Orö, A. Wretlind, Acta Pharmacol. Toxicol. 18, 141 (1961).
Properties: Liquid. Acid taste; disagreeable, rancid-cheese odor. d420 0.931. mp -37°. bp 175-177°. nD20 1.4043. Sol in 24 parts water; sol in alcohol, chloroform, ether. Keep tightly closed. LD50 i.v. in mice: 1120±30 mg/kg (Orö, Wretlind).
Melting point: mp -37°
Boiling point: bp 175-177°
Index of refraction: nD20 1.4043
Density: d420 0.931
Toxicity data: LD50 i.v. in mice: 1120±30 mg/kg (Orö, Wretlind)
Use: In flavors, perfumes, manuf sedatives.

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