MilliporeSigma
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377430

Sigma-Aldrich

Allyl isothiocyanate

contains BHT as stabilizer, 95%

Synonym(s):
AITC, Oil of mustard
Linear Formula:
CH2=CHCH2NCS
CAS Number:
Molecular Weight:
99.15
Beilstein:
773748
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

95%

form

liquid

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

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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.
[50]
  • 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.
  • [92]
  • Study of the induction of acetylation of histone in mouse erythroleukemia cells by some organosulfur compounds.
  • [58]

    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.

    Signal Word

    Danger

    Hazard Classifications

    Acute Tox. 2 Dermal - Acute Tox. 2 Inhalation - Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1B - Skin Sens. 1

    Storage Class Code

    3 - Flammable liquids

    WGK

    WGK 3

    Flash Point(F)

    113.0 °F - closed cup

    Flash Point(C)

    45 °C - closed cup

    Certificate of Analysis

    Enter Lot Number to search for Certificate of Analysis (COA).

    Certificate of Origin

    Enter Lot Number to search for Certificate of Origin (COO).

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