49776-81-0

Basic information

• Product Name: 6-isothiocyanatohex-1-ene
• Synonyms: 1-hexene, 6-isothiocyanato-
• CAS NO: 49776-81-0
• Molecular Formula: C₇H₁₁NS
• Molecular Weight: 141.2339
• Mol File: 49776-81-0.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 213°C at 760 mmHg
• Flash Point: 78.9°C
• Density: 0.89g/cm³
• Vapor Pressure: 0.245mmHg at 25°C
• Refractive Index: 1.483
• CAS DataBase Reference: 6-isothiocyanatohex-1-ene(CAS DataBase Reference)
• NIST Chemistry Reference: 6-isothiocyanatohex-1-ene(49776-81-0)
• EPA Substance Registry System: 6-isothiocyanatohex-1-ene(49776-81-0)

Safety Data

• Hazardous Substances Data: 49776-81-0(Hazardous Substances Data)

Upstream product

• 31246-84-1 6-thiocyanatohex-1-ene 
• 2695-47-8 6-Bromo-1-hexene 

Downstream Products

• 4430-39-1 6-(methylthio)hexyl isothiocyanate 

Relevant articles and documents

Structure-Activity Relationship Study on Isothiocyanates: Comparison of TRPA1-Activating Ability between Allyl Isothiocyanate and Specific Flavor Components of Wasabi, Horseradish, and White Mustard

Allyl isothiocyanate (ITC) (4) is the main pungent component in wasabi, and it generates an acrid sensation by activating TRPA1. The flavor and pungency of ITCs vary depending on the compound. However, the differences in activity to activate TRPA1 between ITCs are not known except for a few compounds. To investigate the effect of carbon chain length and substituents of ITCs, the TRPA1-activiting ability of 16 ITCs was measured. Since most of the ITCs showed nearly equal TRPA1-activiting potency, the ITC moiety is likely the predominant contributor to their TRPA1-activating abilities, and contributions of other functional groups to their activities to activate TRPA1 are comparatively small. (Figure Presented).