Structural Formula Vector Image
Title: Coumarin
CAS Registry Number: 91-64-5
CAS Name: 2H-1-Benzopyran-2-one
Additional Names: 1,2-benzopyrone; cis-o-coumarinic acid lactone; cumarin; coumarinic anhydride; tonka bean camphor
Molecular Formula: C9H6O2
Molecular Weight: 146.14
Percent Composition: C 73.97%, H 4.14%, O 21.90%
Literature References: In tonka beans, lavender oil, woodruff (Asperula species), in sweet clover (Melilotus). Crystal and molecular structure: Chem. Commun. (Univ. Stockholm) 1976, 21. Toxicity: Jenner et al., Food Cosmet. Toxicol. 2, 327 (1964). Review: Sethna, Shah, Chem. Rev. 36, 1 (1945); W. C. Meuly in Kirk-Othmer Encyclopedia of Chemical Technology vol. 7 (Wiley-Interscience, New York, 3rd ed., 1979) pp 196-206.
Properties: Orthorhombic, rectangular plates. Pleasant, fragrant odor resembling that of vanilla beans, burning taste. mp 68-70°. bp 297-299°. bp5 139°. One gram dissolves in 400 ml cold, 50 ml boiling water. Freely sol in alc, chloroform, ether, oils; also sol in alkali hydroxide solns. LD50 orally in rats, guinea pigs: 680, 202 mg/kg (Jenner).
Melting point: mp 68-70°
Boiling point: bp 297-299°; bp5 139°
Toxicity data: LD50 orally in rats, guinea pigs: 680, 202 mg/kg (Jenner)
Use: Pharmaceutic aid (flavor).

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