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
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。
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
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
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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