3-(Methylthio)propyl isothiocyanate

3-(Methylthio)propyl isothiocyanate Basic information

Product Name:	3-(Methylthio)propyl isothiocyanate
Synonyms:	1-isothiocyanato-3-(methylthio)-Propane;Propane, 1-isothiocyanato-3-(methylthio)-;3-(METHYLTHIO)PROPYL ISOTHIOCYANATE 98&;METHYLTHIOPROPYLISOTHIOCYANATE;Isothiocyanic Acid 3-(Methylthio)propyl Ester;IBERVERIN(RG);(3-isothiocyanatopropyl)(Methyl)sulfane;1-Isothiocyanato-3-(methylsulfanyl)propane
CAS:	505-79-3
MF:	C5H9NS2
MW:	147.26
EINECS:	208-020-3
Product Categories:	Alphabetical Listings;Flavors and Fragrances;Miscellaneous Natural Products;thioester Flavor;M-N
Mol File:	505-79-3.mol

3-(Methylthio)propyl isothiocyanate Chemical Properties

Boiling point	254 °C(lit.)
density	1.102 g/mL at 25 °C(lit.)
FEMA	3312 \| 3-METHYLTHIOPROPYL ISOTHIOCYANATE
refractive index	n20/D 1.564(lit.)
Fp	>230 °F
form	clear liquid
color	Light orange to Yellow to Green
Odor	at 0.01 % in propylene glycol. earthy vegetable sulfurous horseradish
Odor Type	rooty
Sensitive	Moisture Sensitive
JECFA Number	1564
InChIKey	LDKSCZJUIURGMW-UHFFFAOYSA-N
LogP	2.06
CAS DataBase Reference	505-79-3(CAS DataBase Reference)
NIST Chemistry Reference	Propane, 1-isothiocyanato-3-(methylthio)-(505-79-3)
EPA Substance Registry System	Propane, 1-isothiocyanato-3-(methylthio)- (505-79-3)

Safety Information

MSDS Information

Provider	Language
SigmaAldrich	English
ALFA	English

3-(Methylthio)propyl isothiocyanate Usage And Synthesis

Description	3-Methylthiopropyl isothiocyanate has a characteristic radish odor. May be prepared from 3-methylthiopropylamine and CSCl2.
Chemical Properties	3-Methylthiopropyl isothiocyanate has a characteristic radish, irritating odor
Chemical Properties	Colorless liquid
Occurrence	Reported found in the hydrolysates of crucifer seeds and Lesquerella seed meal, in Iberis sempervirens seeds, in cabbage, kohlrabi, horseradish, Japanese horseradish, cauliflower and radish
Uses	Iberverin is an inducer of phase II detoxification enzymes.
Preparation	From 3-methylthiopropylamine and CSCl2.
Aroma threshold values	Detection: 5 ppb. Aroma characteristics at 0.1%: musty, radish, rooty, metallic, vegetative, sulfurous cabbage, horseradish with green mustard nuances
Taste threshold values	Taste characteristics at 5 ppm: rooty radish, sulfurous, earthy vegetative and metallic, horseradish with a methional nuance

3-(Methylthio)propyl isothiocyanate Preparation Products And Raw materials

Raw materials

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