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36682 Sigma-Aldrich

Allyl isothiocyanate

PESTANAL®, analytical standard, stabilized

Synonym: AITC, Oil of mustard

  • CAS Number 57-06-7

  • Linear Formula CH2=CHCH2NCS

  • Molecular Weight 99.15

  •  Beilstein Registry Number 773748

  •  EC Number 200-309-2

  •  MDL number MFCD00004822

  •  PubChem Substance ID 329755448

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Properties

Related Categories 2009/48/EC (Directive on the Safety of Toys), 76/768/EEC Annex VIII, A-B, A-F, A-L,
grade   analytical standard
InChI Key   ZOJBYZNEUISWFT-UHFFFAOYSA-N
product line   PESTANAL®
assay   99.7% (GC)
form   neat
quality   stabilized
shelf life   limited shelf life, expiry date on the label
application(s)   HPLC: suitable
  gas chromatography (GC): suitable
refractive index   n20/D 1.529(lit.)
bp   150 °C(lit.)
mp   −80 °C(lit.)
density   1.013 g/mL at 25 °C(lit.)
format   neat

Description

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

Same product — same quality — now Sigma-Aldrich brand

Packaging

bottled under inert gas

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Legal Information

PESTANAL is a registered trademark of Sigma-Aldrich International GmbH

Price and Availability

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

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Peer-Reviewed Papers
15

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