Isosafrole
Title: Isosafrole
CAS Registry Number: 120-58-1
CAS Name: 5-(1-Propenyl)-1,3-benzodioxole
Additional Names: 1,2-(methylenedioxy)-4-propenylbenzene
Molecular Formula: C10H10O2
Molecular Weight: 162.19
Percent Composition: C 74.05%, H 6.21%, O 19.73%
Literature References: Purification and separation from safrole: Balbiano, Ber. 42, 1505 (1911); Hoering, Baum, ibid. 3082. Prepn: Bert, Compt. Rend. 213, 873 (1941); Naves, Ardizio, Bull. Soc. Chim. Fr. 1957, 1053; Fengeas, ibid. 1964, 1892; Cabiddu et al., Ann. Chim. (Rome) 52, 1261 (1962). Review and evaluation of studies of carcinogenic action in laboratory animals: IARC Monographs 10, 231-241 (1976).
 
Derivative Type: trans-Form
Properties: Liquid, odor of anise. bp760 253°; bp100 179.5°; bp20 135.6°; bp3.4 85-86°. mp 8.2°. d420 1.1206. nD20 1.5782. uv max (96% alc): 305, 267, 259.5 nm (e 5340; 11600; 12160). Miscible with alc, ether, benzene. Sol in 8 parts of 90% alcohol.
Melting point: mp 8.2°
Boiling point: bp760 253°; bp100 179.5°; bp20 135.6°; bp3.4 85-86°
Index of refraction: nD20 1.5782
Absorption maximum: uv max (96% alc): 305, 267, 259.5 nm (e 5340; 11600; 12160)
Density: d420 1.1206
 
Derivative Type: cis-Form
Properties: Liq. bp3.5 77-79°. mp -21.5°. d420 1.1182. nD20 1.5691. uv max (96% alc): 296.5, 259 nm (e 4450; 10000).
Melting point: mp -21.5°
Boiling point: bp3.5 77-79°
Index of refraction: nD20 1.5691
Absorption maximum: uv max (96% alc): 296.5, 259 nm (e 4450; 10000)
Density: d420 1.1182
 
Use: Manuf heliotropin; to modify oriental perfumes; to strengthen soap perfumes; in small quantities together with methyl salicylate in root beer and sarsaparilla flavors.

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