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Merck
CN

36682

异硫氰酸烯丙酯

PESTANAL®, analytical standard

别名:

AITC, 芥子油

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关于此项目

线性分子式:
CH2=CHCH2NCS
化学文摘社编号:
分子量:
99.15
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
EC Number:
200-309-2
Beilstein/REAXYS Number:
773748
MDL number:
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产品名称

异硫氰酸烯丙酯, PESTANAL®, analytical standard

InChI key

ZOJBYZNEUISWFT-UHFFFAOYSA-N

InChI

1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2

SMILES string

C=CCN=C=S

grade

analytical standard

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

Quality Level

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Application

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Biochem/physiol Actions

它是十字花科蔬菜的天然成分。

General description

烯丙基异硫氰酸酯是十字花科植物中天然存在的化合物。它也是一种有前景的候选物,在培养的细胞和动物模型中均显示出抗癌活性。

Packaging

在惰性气体下装瓶

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

存储类别

3 - Flammable liquids

wgk

WGK 3

flash_point_f

113.0 °F - closed cup

flash_point_c

45 °C - closed cup

法规信息

危险化学品
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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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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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