Title: Sulforaphen
CAS Registry Number: 592-95-0
CAS Name: 4-Isothiocyanato-1-(methylsulfinyl)-1-butene
Additional Names: isothiocyanic acid 4-(methylsulfinyl)-3-butenyl ester; raphanin
Molecular Formula: C6H9NOS2
Molecular Weight: 175.27
Percent Composition: C 41.12%, H 5.18%, N 7.99%, O 9.13%, S 36.59%
Literature References: From seeds of radish, Raphanus sativus L., Cruciferae: Ivanovics, Horvath, Nature 160, 297 (1947); Proc. Soc. Exp. Biol. Med. 66, 625 (1947). Identity with raphanin: Koczka, Ivanovics, C.A. 44, 5538c (1950). Structure: Schmid, Karrer, Helv. Chim. Acta 31, 1017 (1948). Synthesis of (±)-form: Balenovic et al., Tetrahedron 22, 2139 (1966).
Properties: Liquid. bp0.015 125-130°. D19 -107° (c = 1.37 in chloroform); D14 -136° (c = 1.38 in alcohol). Sol in water, methanol, chloroform; moderately sol in ether; practically insol in petr ether.
Boiling point: bp0.015 125-130°
Optical Rotation: D19 -107° (c = 1.37 in chloroform); D14 -136° (c = 1.38 in alcohol)
Status: This monograph has been retired and is no longer subject to revision or update.
