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Merck
CN

W442800

异硫氰酸苯甲酯

98%, FG

别名:

异硫代氰氧基甲基苯, 苄芥子油

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关于此项目

线性分子式:
C6H5CH2NCS
化学文摘社编号:
分子量:
149.21
NACRES:
NA.21
PubChem Substance ID:
UNSPSC Code:
12164502
FEMA Number:
4428
Flavis number:
12.102
EC Number:
210-753-9
MDL number:
Beilstein/REAXYS Number:
386135
Organoleptic:
medicinal
Grade:
FG
Biological source:
synthetic
Food allergen:
no known allergens
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InChI key

MDKCFLQDBWCQCV-UHFFFAOYSA-N

InChI

1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2

SMILES string

S=C=NCc1ccccc1

biological source

synthetic

grade

FG

reg. compliance

EU Regulation 1334/2008 & 872/2012

assay

98%

refractive index

n20/D 1.601 (lit.)

bp

242-243 °C (lit.)

density

1.125 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

medicinal

storage temp.

2-8°C

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General description

Benzyl isothiocyanate occurs naturally in papaya seeds, moringa, and cruciferous vegetables. It shows potent anti-proliferative activity against human pancreatic cancer cells.

Application

可能的用途:卷心菜、萝卜、豆瓣菜、热带番木瓜的调味,使之具有芥末、辣根的味道。

Biochem/physiol Actions

1.0% 时的气味:像卷心菜和萝卜味,颜色为绿色,带发霉的含硫磺土质色,令人想起芥菜。
0.5ppm 时的味道:像绿色卷心菜、朝鲜泡菜、萝卜和日本芥末,有绿色叶菜味,对三叉神经有强烈刺激作用,让人产生舌头麻木和焦躁感。

Other Notes

天然存在:豆瓣菜、旱金莲、番木瓜和莴苣

pictograms

Health hazardExclamation mark

signalword

Danger

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

target_organs

Respiratory system

存储类别

10 - Combustible liquids

flash_point_f

222.8 °F

flash_point_c

106 °C

ppe

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


历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Benzyl isothiocyanate of papaya fruit.
Tang CS.
Phytochemistry, 10(1), 117-121 (1971)
Dong Xiao et al.
PloS one, 7(3), e32597-e32597 (2012-03-30)
Benzyl isothiocyanate (BITC), a constituent of edible cruciferous vegetables, inhibits growth of breast cancer cells but the mechanisms underlying growth inhibitory effect of BITC are not fully understood. Here, we demonstrate that BITC treatment causes FoxO1-mediated autophagic death in cultured
Srinivas Reddy Boreddy et al.
PloS one, 6(10), e25799-e25799 (2011-10-22)
Our previous studies have shown that benzyl isothiocyanate (BITC) suppresses pancreatic tumor growth by inhibiting STAT-3; however, the exact mechanism of tumor growth suppression was not clear. Here we evaluated the effects and mechanism of BITC on pancreatic tumor angiogenesis.
Hussaini Syed Sha Qhattal et al.
Journal of agricultural and food chemistry, 59(23), 12396-12404 (2011-10-21)
Benzyl isothiocyanate (BITC), a compound found in cruciferous vegetables, is an effective chemopreventive agent. The objective of this study was to develop nanoemulsion formulations for the oral delivery of BITC. Optimized oil-in-water BITC nanoemulsions were prepared by a spontaneous self-nanoemulsification
Huiqin Yan et al.
The British journal of nutrition, 106(12), 1779-1791 (2011-07-08)
Dietary isothiocyanates have been shown to possess anti-tumour activity, inhibiting several types of cultured human cancer cell growth. However, there are limited studies on their effects on cancer cell metastasis. Our previous study showed that benzyl isothiocyanate (BITC) and phenethyl

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