Heptanoic Acid
Title: Heptanoic Acid
CAS Registry Number: 111-14-8
Additional Names: Enanthic acid; oenanthic acid; oenanthylic acid; n-heptoic acid; n-heptylic acid
Molecular Formula: C7H14O2
Molecular Weight: 130.18
Percent Composition: C 64.58%, H 10.84%, O 24.58%
Line Formula: CH3(CH2)5COOH
Literature References: Found in the various fusel oils in appreciable amounts. Has been observed in rancid oils. Prepd by the oxidation of heptaldehyde with potassium permanganate in dil sulfuric acid: Ruhoff, Org. Synth. coll. vol. II, 315 (1943). Toxicity study: L. Orö, A. Wretlind, Acta Pharmacol. Toxicol. 18, 141 (1961).
Properties: Oily liquid. Disagreeable, rancid odor. Faint, tallow-like odor when spectroscopically pure. d40 0.9345; d415 0.9222; d420 0.9181; d430 0.9099. mp -7.5°. bp760 223.01°, also reported as 221.9°; bp256 187.5°; bp64 150.8°. Specific heat 0.54 cal/g. Heat of combustion -986.1 cal/g (20°). nD20 1.42162. Viscosity 3.40 cP at 30°; 0.82 cP at 120°. Interfacial tension against water: 7.0 dynes/cm. pka (25°): 4.4. Soly in water (15°): 0.2419 g/100 ml H2O. Sol in ethanol, ether, DMF, DMSO. LD50 i.v. in mice: 1200±56 mg/kg (Orö, Wretlind).
Melting point: mp -7.5°
Boiling point: bp760 223.01°, also reported as 221.9°; bp256 187.5°; bp64 150.8°
Index of refraction: nD20 1.42162
Density: d40 0.9345; d415 0.9222; d420 0.9181; d430 0.9099
Toxicity data: LD50 i.v. in mice: 1200±56 mg/kg (Orö, Wretlind)
 
Derivative Type: Methyl ester
Molecular Formula: C8H16O2
Molecular Weight: 144.21
Percent Composition: C 66.63%, H 11.18%, O 22.19%
Properties: Liquid, d420 0.8815; mp -55.8°; bp 173.8°. nD20 1.41152.
Melting point: mp -55.8°
Boiling point: bp 173.8°
Index of refraction: nD20 1.41152
Density: d420 0.8815
 
Derivative Type: Ethyl ester see Ethyl Oenanthate

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