Structural Formula Vector Image
Title: Safrole
CAS Registry Number: 94-59-7
CAS Name: 5-(2-Propenyl)-1,3-benzodioxole
Additional Names: 4-allyl-1,2-methylenedioxybenzene; allylcatechol methylene ether; allyldioxybenzene methylene ether; m-allylpyrocatechin methylene ether
Molecular Formula: C10H10O2
Molecular Weight: 162.19
Percent Composition: C 74.05%, H 6.21%, O 19.73%
Literature References: Constituent of several essential oils, notably of sassafras in which it is present to the extent of about 75%. Has been used as topical antiseptic; pediculicide. Metabolism studies: Oswald et al., Biochim. Biophys. Acta 230, 237 (1971). Toxicity data: Hagan et al., Toxicol. Appl. Pharmacol. 7, 18 (1965). Review of carcinogenic risk: IARC Monographs 10, 231-241 (1976).
Properties: Colorless or slightly yellow liq; sassafras odor. d20 1.096. mp ~11°. bp 232-234°. nD20 1.5383. Insol in water. Very sol in alcohol. Miscible with chloroform, ether. LD50 in rats, mice (mg/kg): 1950, 2350 orally (Hagan).
Melting point: mp ~11°
Boiling point: bp 232-234°
Index of refraction: nD20 1.5383
Density: d20 1.096
Toxicity data: LD50 in rats, mice (mg/kg): 1950, 2350 orally (Hagan)
CAUTION: This substance is reasonably anticipated to be a human carcinogen: Report on Carcinogens, Eleventh Edition (PB2005-104914, 2004) p III-229.
Use: In perfumery; denaturing fats in soap manuf; also in manuf of heliotropin. Formerly as flavoring agent in foods, drugs and beverages.

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