36682

Allyl isothiocyanate

PESTANAL^®, analytical standard

• Synonyme(s) : AITC
• Formule linéaire : CH₂=CHCH₂NCS
• Numéro CAS: 57-06-7
• Poids moléculaire : 99.15
• UNSPSC Code: 41116107
• NACRES: NA.24
• PubChem Substance ID: 329755448
• EC Number: 200-309-2
• Beilstein/REAXYS Number: 773748
• MDL number: MFCD00004822

Propriétés

• grade: analytical standard
• Quality Segment: 100
• product line: PESTANAL^®
• assay: 99.7% (GC)
• shelf life: limited shelf life, expiry date on the label
• technique(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.)
• application(s): agriculture; cleaning products; cosmetics; environmental; flavors and fragrances; food and beverages; personal care
• format: neat
• 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 a naturally occurring compound in plants which belongs to the class of cruciferae. It can also serve as a promising candidate that can show anti-cancer activity in both cultured cells and animal models.

Application

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

Biochem/physiol Actions

Constituant naturel des crucifères (légumes) ayant des propriétés antitumorales et anti-oxydantes. Induit l′activité des enzymes de détoxification de phase II dans la vessie et peut, de ce fait, avoir une action chimioprotectrice contre le cancer de la vessie.

Packaging

Embouteillé sous atmosphère inerte

Legal Information

PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

Informations sur la sécurité

• pictograms: GHS02,GHS06,GHS05,GHS09
• signalword: Danger
• hcodes: H226,H302,H310 + H330,H314,H317,H410
• pcodes: P210 - P273 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• 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
• Classe de stockage: 3 - Flammable liquids
• wgk: WGK 3
• flash_point_f: 113.0 °F - closed cup
• flash_point_c: 45 °C - closed cup