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CAS 57-06-7

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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:C(N=C=S)C=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
  • See more synonyms
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