ISOTHIOCYANIC ACID 3-BUTEN-1-YL ESTER Chemical Properties

Boiling point:

77 °C / 21mmHg

Density 

0.99

refractive index 

1.5210 to 1.5240

FEMA 

4418 | 3-BUTENYL ISOTHIOCYANATE

solubility 

Acetonitrile (Slightly), Chloroform (Soluble), Dichloromethane (Slightly), Metha

form 

clear liquid

color 

Colorless to Light orange to Yellow

Odor

aromatic pungent

JECFA Number

1889

Stability:

Light Sensitive, Volatile

LogP

2.64

Safety Information

Risk Statements 

36

Safety Statements 

26

RIDADR 

UN 1992 3/6.1/PG III

HazardClass 

3/6.1

PackingGroup 

III

HS Code 

2930909899

ISOTHIOCYANIC ACID 3-BUTEN-1-YL ESTER Usage And Synthesis

Chemical Properties

Colorless liquid; penetrating aroma.

Occurrence

Reported found in horseradish, mustard, and wasabi.

Uses

3-Butenyl isothiocyanate is a useful building block and has been proposed to have demonstrated anticancer effects in colorectal cancer, however little is known about their effect in colorectal cancers and tumor initiation properties.

Definition

ChEBI: 4-isothiocyanato-1-butene is an isothiocyanate.

Aroma threshold values

High strength odor, recommend smelling in a 0.01% solution or less.

Synthesis

N, N-dimethylformamide (DMF) (480 g, 6.57 mol) was added to a mixture of 4-bromo-1-butene (160 g, 1.19 mol) and potassium thiocyanate (114 g, 1.17 mol), and the mixture was stirred at 100 ??C for 1.5 h. The insoluble material was removed, the mixture was evaporated, and the DMF-containing 3-butene thiocyanate ( 560 g). Sodium iodide (208 g, 1.40 mol) and calcium carbonate (11.2 g, 0.11 mol) were added to 3-butenyl thiocyanate and the mixture was refluxed with stirring for 2 h. The insoluble material was removed and the mixture was distilled. The insoluble material was removed and the remaining mixture was distilled to obtain 3-butenyl isothiocyanate.

ISOTHIOCYANIC ACID 3-BUTEN-1-YL ESTER(3386-97-8)Related Product Information

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