377430

Allylisothiocyanat

95%

• Synonym(e): AITC, Allylsenföl
• Lineare Formel: CH₂=CHCH₂NCS
• CAS-Nummer: 57-06-7
• Molekulargewicht: 99.15
• Beilstein: 773748
• EG-Nummer: 200-309-2
• MDL-Nummer: MFCD00004822
• UNSPSC-Code: 12352100
• PubChem Substanz-ID: 24863504
• NACRES: NA.22

Eigenschaften

• Qualitätsniveau: 100
• Assay: 95%
• Form: liquid
• Enthält: BHT as stabilizer
• Brechungsindex: n20/D 1.529 (lit.)
• bp: 150 °C (lit.)
• mp (Schmelzpunkt): −80 °C (lit.)
• Dichte: 1.013 g/mL at 25 °C (lit.)
• Funktionelle Gruppe: amine; isothiocyanate
• Lagertemp.: 2-8°C
• SMILES String: C=CCN=C=S
• InChI: 1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
• InChIKey: ZOJBYZNEUISWFT-UHFFFAOYSA-N

Beschreibung

Anwendung

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.

Biochem./physiol. Wirkung

In Kreuzblütlern natürlich vorkommende Substanz mit Antitumor- und antioxidativen Eigenschaften. Induziert die Aktivität der Phase-II-Entgiftungsenzyme in der Harnblase und wirkt potentiell chemoprotektiv gegen Blasenkrebs.

Sicherheitshinweise

• Piktogramme: GHS02,GHS06,GHS05,GHS09
• Signalwort: Danger
• H-Sätze: H226,H302,H310 + H330,H314,H317,H410
• P-Sätze: P210 - P273 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Gefahreneinstufungen: 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
• Lagerklassenschlüssel: 3 - Flammable liquids
• WGK: WGK 3
• Flammpunkt (°F): 113.0 °F - closed cup
• Flammpunkt (°C): 45 °C - closed cup