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.)

Flash point:

>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

Hazard Codes 

Xi

Risk Statements 

23/24/25-36/38

Safety Statements 

26-36

RIDADR 

2810

WGK Germany 

3

TSCA 

Yes

HazardClass 

6.1

PackingGroup 

III

HS Code 

29309090

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

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(505-79-3)Related Product Information

• Ethyl N-cyanoethanimideate
• Fluorescein isothiocyanate
• Chloromethyl isopropyl carbonate
• Sodium cyanoborohydride
• 1,4-PHENYLENE DIISOTHIOCYANATE
• ISOMETHIOZIN
• 2-Bromopropane
• Phenyl isothiocyanate
• ETHYL 2-CYANOACRYLATE
• Protionamide
• Methylene dithiocyanate
• Isopropyl isocyanate
• 2-CHLOROETHYL ISOTHIOCYANATE
• Benzyl isocyanate
• 5-ISOTHIAZOLECARBOXYLIC ACID
• Methyl isothiocyanate
• Allyl isothiocyanate
• PROPYL ISOTHIOCYANATE