68488
异硫氰酸苯乙酯
analytical standard
别名:
PEITC, 2-苯基乙基异硫代氰酸酯
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关于此项目
线性分子式:
C6H5CH2CH2NCS
化学文摘社编号:
分子量:
163.24
UNSPSC Code:
85151701
NACRES:
NA.24
PubChem Substance ID:
EC Number:
218-855-5
Beilstein/REAXYS Number:
2084162
MDL number:
InChI
1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
InChI key
IZJDOKYDEWTZSO-UHFFFAOYSA-N
SMILES string
S=C=NCCc1ccccc1
grade
analytical standard
assay
≥98.5% (GC)
shelf life
limited shelf life, expiry date on the label
refractive index
n20/D 1.5888 (lit.), n20/D 1.589-1.591
bp
139-140 °C/11 mmHg (lit.)
density
1.094 g/mL at 25 °C (lit.)
format
neat
storage temp.
2-8°C
Quality Level
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General description
异硫氰酸苯乙酯是一种有机异硫氰酸酯，它是一种十字花科蔬菜成分，在卷心菜、萝卜、小萝卜等中以葡萄糖异硫氰酸盐的形式存在。它是一种众所周知的化学预防剂，据报道可有效治疗肺、乳腺、胰腺、前列腺等癌症。 上。
Application
异硫氰酸苯乙酯可用作分析标准品，用于通过各种色谱技术测定生物样品和蔬菜提取物中的分析物。
signalword
Danger
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - 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
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
Stefan Tyroller et al.
Toxicology, 215(3), 245-253 (2005-08-25)
N'-Nitrosonornicotine (NNN) was the first tobacco-specific nitrosamine (TSNA) identified as carcinogen in tobacco smoke, but no data exist on in vivo interactions between NNN and other tobacco alkaloids, TSNA or phenethyl isothiocyanate (PEITC) which have been demonstrated in various studies
L Liebes et al.
Analytical biochemistry, 291(2), 279-289 (2001-06-13)
Dietary and pharmacologic isothiocyanates (ITCs) may play a role in reducing the risk of certain cancers. The quantification of ITCs in humans is important both for epidemiological and pharmacokinetic studies. We describe a modification of an HPLC-based assay of urinary
A Negrusz et al.
Journal of chromatography. B, Biomedical sciences and applications, 718(1), 193-198 (1998-12-01)
Phenethyl isothiocyanate is unstable in aqueous media and at low pH, and rapidly degrades to phenethylamine. Concentrations of phenethylamine, a phenethyl isothiocyanate marker, in dog plasma, were determined utilizing solid-phase extraction and gas chromatography-mass spectrometry with chemical ionization using acetone
Yan Ji et al.
Analytical biochemistry, 323(1), 39-47 (2003-11-19)
Phenethyl isothiocyanate (PEITC) is a dietary compound present in cruciferous vegetables that has cancer-preventive properties. Our objective was to develop and validate a novel liquid chromatography-tandem mass spectrometry procedure to analyze PEITC concentrations in human plasma and urine. Following hexane
Lijiang Song et al.
Analytical biochemistry, 347(2), 234-243 (2005-11-18)
Dietary glucosinolates are under intensive investigation as precursors of cancer-preventive isothiocyanates. Quantitation of the dose and bioavailability of glucosinolates and isothiocyanates requires a comprehensive analysis of the major dietary glucosinolates, isothiocyanates, and related metabolites. We report a liquid chromatography with
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