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377430 Sigma-Aldrich

Allyl isothiocyanate

contains BHT as stabilizer, 95%

Synonym: AITC, Oil of mustard

  • CAS Number 57-06-7

  • Linear Formula CH2=CHCH2NCS

  • Molecular Weight 99.15

  •  Beilstein/REAXYS Number 773748

  •  EC Number 200-309-2

  •  MDL number MFCD00004822

  •  PubChem Substance ID 24863504

  •  NACRES NA.22

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Properties

Related Categories Armoracia rusticana (Horseradish), Building Blocks, Cell Biology, Chemical Synthesis, Nutrition Research,
assay   95%
contains   BHT as stabilizer
refractive index   n20/D 1.529 (lit.)
bp   150 °C (lit.)
mp   −80 °C (lit.)
density   1.013 g/mL at 25 °C (lit.)
storage temp.   2-8°C
SMILES string   C=CCN=C=S
InChI   1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
InChI key   ZOJBYZNEUISWFT-UHFFFAOYSA-N

Description

Application

Allyl isothiocyanate (AITC) was suitable for use in the following studies:
• Quantitation of the N-acetylcysteine conjugate of AITC in human urine after ingestion of mustard.
• Evaluation of the fungitoxic activity of AITC vapour on Penicillium expansum on pears, particularly on a thiabendazole (TBZ)-resistant P. expansum strain in vivo, to verify whether AITC treatment could be a substitute for TBZ.
• Study of the induction of acetylation of histone in mouse erythroleukemia cells by some organosulfur compounds.

Packaging

5, 100, 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.

Safety & Documentation

Safety Information

Signal word 
Danger
RIDADR 
UN 1545 3(6.1) / PGII
WGK Germany 
WGK 3
Flash Point(F) 
113.0 °F - closed cup
Flash Point(C) 
45 °C - closed cup

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Protocols & Articles

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Peer-Reviewed Papers
15

References

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