Title: Isobutyraldehyde
CAS Registry Number: 78-84-2
CAS Name: 2-Methylpropanal
Additional Names: isobutylaldehyde; isobutyric aldehyde
Molecular Formula: C4H8O
Molecular Weight: 72.11
Percent Composition: C 66.62%, H 11.18%, O 22.19%
Line Formula: (CH3)2CHCHO
Literature References: Manuf by the oxo process from propylene, carbon monoxide, and hydrogen at 130-160° and 1500-3000 psi in the presence of a cobalt catalyst: Roelen, US 2327066 (1943); also prepared by air oxidation of isobutyl alcohol: Fossek, Monatsh. Chem. 2, 614 (1881); Lipp, Ann. 205, 2 (1880). Toxicity study: Smyth et al., Arch. Ind. Hyg. Occup. Med. 10, 61 (1954). Review: P. D. Sherman in Kirk-Othmer Encyclopedia of Chemical Technology vol. 4 (Wiley-Interscience, New York, 3rd ed., 1978) pp 376-386.
Properties: Flammable liq. Pungent odor. d420 0.7938. mp -65.9°. bp760 64°. nD20 1.3730. Heat of combustion 599.9 kcal. Flash pt (open cup) <20°F. Soly in water at 20°: 11 g/100 ml H2O. Miscible with ethanol, ether, carbon disulfide, acetone, benzene, toluene, chloroform. Forms an azeotrope with water contg 94% isobutyraldehyde. The azeotrope bp760 59°. Weight per gallon of isobutyraldehyde: 6.55 lbs. Oxidizes slowly on exposure to air, forming isobutyric acid. LD50 orally in rats: 3.7 g/kg (Smyth).
Melting point: mp -65.9°
Boiling point: bp760 64°; bp760 59°
Flash point: Flash pt (open cup) <20°F
Index of refraction: nD20 1.3730
Density: d420 0.7938
Toxicity data: LD50 orally in rats: 3.7 g/kg (Smyth)
Use: In the synthesis of pantothenic acid, valine, leucine, cellulose esters, perfumes, flavors, plasticizers, resins, gasoline additives.

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