• USA Home
  • W203408 - Allyl isothiocyanate

EMAIL THIS PAGE TO A FRIEND
W203408 Sigma-Aldrich

Allyl isothiocyanate

≥95%, FCC

Synonym: AITC, Oil of mustard

  • CAS Number 57-06-7

  • Linear Formula CH2=CHCH2NCS

  • Molecular Weight 99.15

  •  FEMA Number 2034

  •  Beilstein/REAXYS Number 773748

  •  EC Number 200-309-2

  •  Council of Europe no. 2110

  •  MDL number MFCD00004822

  •  PubChem Substance ID 24900811

  •  Flavis number 12.025

  •  NACRES NA.21

Purchase

Properties

Related Categories A - D, A-B, A-D, Alphabetical Listings, Flavors and Fragrances,
biological source   synthetic
grade   Halal
  Kosher
reg. compliance   FCC
  FDA 21 CFR (117)
  FDA 21 CFR (172.515)
assay   ≥95%
refractive index   n20/D 1.529 (lit.)
bp   150 °C (lit.)
mp   −80 °C (lit.)
density   1.013 g/mL at 25 °C (lit.)
Documentation   see Safety & Documentation for available documents
Organoleptic   horseradish; pungent
food allergen   no known allergens
SMILES string   C=CCN=C=S
InChI   1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
InChI key   ZOJBYZNEUISWFT-UHFFFAOYSA-N

Description

General description

Allyl isothiocyanate is mainly found in Brassica species such as mustard, cabbage, and broccoli. It is formed by the degradation of the glucosinolate, sinigrin. AITC shows anti-cancer and anti-microbial properties.

Packaging

1 kg in glass bottle

10 kg in steel drum

500 g in glass bottle

Biochem/physiol Actions

Naturally occurring constituent of cruciferous vegetables that has anti-tumor and anti-oxidant properties. Induces the activity of phase II detoxification enzymes in the urinary bladder and, thus, may be chemoprotective against bladder cancer.

Other Notes

Download our Flavors and Fragrances Catalog to view our entire product line.

Subscribe to our Newsletter to keep up to date on our latest Flavors and Fragrances offerings.

Safety & Documentation

Safety Information

Signal word 
Danger
RIDADR 
UN 1545 3(6.1) / PGII
WGK Germany 
3
Flash Point(F) 
114.8 °F
Flash Point(C) 
46 °C
Protocols & Articles

Articles

Understanding the Complexities of Kosher Ingredients

Introduction What is Kosher Product Considerations for Kosher Certification Kosher's Added Benefit to the Food Industry Sigma-Aldrich's Kosher Experience and Offering
Dr. Luke Grocholl1, Rabbi Gershon Segal

1Dr. Luke Grocholl, Quality Assurance Supervisor, Sigma-Aldrich Flavors & Fragrances
Keywords: Fermentation, Food & Beverage, Safety industry

Related Content

Flavors and Fragrances Quality and Regulatory

From a comprehensive vendor approval process, to the testing of raw material at receipt as well as when product is ready to be shipped; we prove our dedication to supply chain transparency, every day.
Keywords: Allergens, Food Safety, Solvents

Peer-Reviewed Papers
15

References

Related Products

related product

Product #

Description

Add to Cart

07475 Timestrip® Food

Technical Service:

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Bulk Ordering & Pricing:

Need larger quantities for your development, manufacturing or research applications?