CAS 57-06-7: Allyl isothiocyanate

Description: Allyl isothiocyanate (AITC), with the CAS number 57-06-7, is a pungent, colorless to yellowish liquid that is primarily known for its distinctive mustard-like aroma and flavor. It is an organic compound derived from the hydrolysis of glucosinolates found in cruciferous vegetables, such as mustard and horseradish. AITC is characterized by its strong irritant properties, particularly to the eyes and respiratory system, and it is classified as a potential skin sensitizer. The compound has a molecular formula of C4H5NS and features a thiocyanate functional group, which contributes to its reactivity and biological activity. Allyl isothiocyanate exhibits antimicrobial properties and has been studied for its potential health benefits, including anti-cancer effects. It is commonly used as a flavoring agent in food products and as a natural pesticide in agriculture. Due to its volatility, AITC should be handled with care, and appropriate safety measures should be taken to avoid exposure.

Formula: C₄H₅NS

InChI: InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2

InChI key: InChIKey=ZOJBYZNEUISWFT-UHFFFAOYSA-N

SMILES: S=C=NCC=C

Synonyms:

• 1-Propene, 3-isothiocyanato-
• 2-Propenyl Isothiocyanate
• 3-Isothiocyanato-1-Propene
• 3-Isothiocyanatoprop-1-Ene
• 3-Isothiocyanatopropene
• Aitc
• Aitk
• Allyl Isorhodanide
• Allyl Isosulfocyanate
• Allyl Mustard Oil
• Allyl Sevenolum
• Allyl Thiocarbonimide
• Allyl isothiocyanate, inhibited
• Allyl thioisocyanate
• Allylisothiocyanat
• Allylsenevol
• Allylsenfoel
• Allylsevenolum
• Allyspol
• Allyspol 75EC
• Artificial Mustard Oil
• Artificial Oil Of Mustard
• Carbospol
• Fema No. 2034
• Isothiocyanate d'allyle
• Isothiocyanato-1-propene
• Isothiocyanic acid, allyl ester
• Isotiocianato De Alilo
• Mustard oil
• Nsc 5572
• Oil Of Mustard
• Oil Of Mustard Bpc 1949
• Oleum Sinapis Volatile
• Oleum sinapis
• Propene, 3-Isothiocyanato-
• Propenyl isothiocyanate
• Redskin
• Senfoel
• Volatile Oil Of Mustard
• Volatile mustard oil
• Wasaouro
• Wasaouro EXT
• Allyl isothiocyanate

Allyl isothiocyanate, 94%, stab.

CAS: 57-06-7

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. …

• Formula: C₄H₅NS
• Purity: 94%
• Color and Shape: Clear colorless to yellow, Liquid
• Molecular weight: 99.15

Allyl isothiocyanate, 94%, stabilized with 0.01% α-tocopherol

CAS: 57-06-7

This Thermo Scientific Chemicals brand product was originally part of the Acros Organics product portfolio. …

• Formula: C₄H₅NS
• Purity: 94%
• Color and Shape: Clear colorless to yellow, Liquid
• Molecular weight: 99.15

Allyl isothiocyanate 100 µg/mL in Acetonitrile

CAS: 57-06-7

• Formula: C₄H₅NS
• Color and Shape: Single Solution
• Molecular weight: 99.15

Allyl Isothiocyanate

CAS: 57-06-7

• Formula: C₄H₅NS
• Color and Shape: Neat
• Molecular weight: 99.15

Allyl isothiocyanate(stabilised with 0.1% tocopherols)

CAS: 57-06-7

• Purity: 90.0%
• Color and Shape: Liquid
• Molecular weight: 99.1500015258789