HEXYL ISOTHIOCYANATE Chemical Properties

Melting point:

83 °C

Boiling point:

136-138 °C/96 mmHg (lit.)

Density 

0.929 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.491(lit.)

FEMA 

4422 | HEXYL ISOTHIOCYANATE

Flash point:

195 °F

Odor

sharp green

Odor Type

green

Sensitive 

Moisture Sensitive

JECFA Number

1895

BRN 

1751837

LogP

3.60

CAS DataBase Reference

4404-45-9(CAS DataBase Reference)

Safety Information

Hazard Codes 

T

Risk Statements 

23/24/25-36/37/38-34-20/21/22

Safety Statements 

23-26-36/37/39-45

RIDADR 

2810

WGK Germany 

3

F 

10-21

HazardClass 

6.1

PackingGroup 

III

HS Code 

29309090

MSDS

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

HEXYL ISOTHIOCYANATE Usage And Synthesis

Chemical Properties

: Colorless to yellow liquid; sharp green, irritating aroma

Occurrence

Reported found in horseradish and radish

Uses

Hexyl isothiocyanate may be used as a starting reagent in the synthesis of hexyl isocyanate.

Aroma threshold values

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

General Description

Hexyl isothiocyanate (n-hexyl isothiocyanate) is an isothiocyanate derivative. It has been identified as one of the components present in the oil extracted from the Cruciferae family. On heating the mixture of n-hexyl isothiocyanate and m-chlorophenyl isothiocyanate in the temperature range of 190-230°C, n-hexyl isocyanate is obtained.

HEXYL ISOTHIOCYANATE(4404-45-9)Related Product Information

• 2-BROMOETHYL ISOTHIOCYANATE
• 2-TETRAHYDROFURFURYL ISOTHIOCYANATE
• 2,3,4-TRICHLOROPHENYL ISOTHIOCYANATE
• 2-METHOXYETHYL ISOTHIOCYANATE
• PENTYL ISOTHIOCYANATE
• 2-FURFURYL ISOTHIOCYANATE
• 2-BROMOPHENYL ISOCYANATE
• Isopropyl isocyanate
• Ethoxycarbonyl Isothiocyanate
• Benzyl isocyanate
• ETHYL ISOTHIOCYANATOACETATE
• Isopropyl isothiocyanate
• 2-Chloroethyl isocyanate
• Octadecyl isocyanate
• Methyl isothiocyanate
• Ethyl isocyanoacetate
• Butyl isocyanate
• 3,5-Dichlorophenyl isocyanate