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Key Documents

W203408

Sigma-Aldrich

Allyl isothiocyanate

≥95%, FCC

Synonyma:

AITC, Oil of mustard

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About This Item

Lineární vzorec:
CH2=CHCH2NCS
Číslo CAS:
Molekulová hmotnost:
99.15
FEMA Number:
2034
Beilstein/REAXYS Number:
773748
EC Number:
Council of Europe no.:
2110
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
12.025
NACRES:
NA.21

biological source

synthetic

Quality Level

grade

Halal
Kosher

reg. compliance

FCC
FDA 21 CFR 117
FDA 21 CFR 172.515

assay

≥95%

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)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

horseradish; pungent

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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General description

Allyl isothiocyanate is mainly found in Brassica species such as mustard, cabbage, and broccoli. It is formed by the degradation of the glucosinolate, sinigrin.

Biochem/physiol Actions

Naturally occurring constituent of cruciferous vegetables.

Disclaimer

For R&D or non-EU Food use. Not for retail sale.

signalword

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

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

113.0 °F - closed cup

flash_point_c

45 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


Osvědčení o analýze (COA)

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Zákazníci si také prohlíželi

Sensitization and desensitization to allyl isothiocyanate (mustard oil) in the nasal cavity.
Brand G & Jacquot L.
Chemical Senses, 27(7), 593-598 (2002)
Antibacterial mechanism of allyl isothiocyanate.
Lin CM, et al.
Journal of Food Protection, 63(6), 727-734 (2000)
Dong Xiao et al.
Carcinogenesis, 24(5), 891-897 (2003-05-29)
Dietary isothiocyanates (ITCs) are highly effective in affording protection against chemically induced cancers in laboratory animals. In the present study, we demonstrate that allyl isothiocyanate (AITC), a constituent of cruciferous vegetables, significantly inhibits proliferation of cultured PC-3 (androgen-independent) and LNCaP
Yuesheng Zhang
Molecular nutrition & food research, 54(1), 127-135 (2009-12-05)
Allyl isothiocyanate (AITC), which occurs in many common cruciferous vegetables, is widely and often frequently consumed by humans. Besides antimicrobial activity against a wide spectrum of pathogens, it showed anticancer activity in both cultured cancer cells and animal models, although
M Murata et al.
Free radical biology & medicine, 28(5), 797-805 (2000-04-08)
Several isothiocyanates have been proposed as promising chemopreventive agents for human cancers. However, it has been reported that allyl isothiocyanate exhibit carcinogenic potential, and benzyl isothiocyanate and phenethyl isothiocyanate have tumor-promoting activities. We investigated whether these isothiocyanates could cause DNA

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