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36682

Supelco

Allyl isothiocyanate

PESTANAL®, analytical standard

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Synonym(s):
AITC, Oil of mustard
Linear Formula:
CH2=CHCH2NCS
CAS Number:
Molecular Weight:
99.15
Beilstein/REAXYS Number:
773748
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.24

grade

analytical standard

Quality Level

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

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This Item
W20340837743097063
Allyl isothiocyanate PESTANAL®, analytical standard

36682

Allyl isothiocyanate

Allyl isothiocyanate ≥95%, FCC

W203408

Allyl isothiocyanate

Allyl isothiocyanate 95%

377430

Allyl isothiocyanate

p-Anisaldehyde analytical standard

97063

p-Anisaldehyde

application(s)

agriculture
cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

application(s)

flavors and fragrances

application(s)

-

application(s)

cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

format

neat

format

-

format

-

format

neat

Quality Level

100

Quality Level

400

Quality Level

-

Quality Level

100

grade

analytical standard

grade

Halal, Kosher

grade

-

grade

analytical standard

assay

99.7% (GC)

assay

≥95%

assay

95%

assay

≥99.0% (GC)

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

Naturally occurring constituent of cruciferous vegetables.

Packaging

bottled under inert gas

Legal Information

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

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


Certificates of Analysis (COA)

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T1503
Product Number
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25G
Pack Size/Quantity

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705578-5MG-PW

PL860-CGA/SHF-1EA

MMYOMAG-74K-13

1000309185

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Allyl isothiocyanate as a cancer chemopreventive phytochemical
Zhang Y, et al.
Molecular Nutrition And Food Research, 54, 127-135 (2010)
Antibacterial mechanism of allyl isothiocyanate
Lin C-M, et al.
Journal of Food Protection, 63, 727-734 (2000)
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
Meng Zhao et al.
Molecular pain, 8, 55-55 (2012-07-31)
Oxaliplatin, a platinum-based chemotherapeutic agent, causes an unusual acute peripheral neuropathy. Oxaliplatin-induced acute peripheral neuropathy appears in almost all patients rapidly after infusion, and is triggered or exacerbated by cold, while its mechanisms are poorly understood. In this study, the
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

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