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68488

Supelco

Phenethyl isothiocyanate

analytical standard

Sinônimo(s):

PEITC, 2-Phenylethyl isothiocyanate

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About This Item

Fórmula linear:
C6H5CH2CH2NCS
Número CAS:
2257-09-2
Peso molecular:
163.24
Beilstein:
2084162
Número CE:
218-855-5
Número MDL:
MFCD00004821
Código UNSPSC:
85151701
ID de substância PubChem:
329760932
NACRES:
NA.24

grau

analytical standard

Nível de qualidade

100

Ensaio

≥98.5% (GC)

prazo de validade

limited shelf life, expiry date on the label

índice de refração

n20/D 1.5888 (lit.)
n20/D 1.589-1.591

pb

139-140 °C/11 mmHg (lit.)

densidade

1.094 g/mL at 25 °C (lit.)

formato

neat

temperatura de armazenamento

2-8°C

cadeia de caracteres SMILES

S=C=NCCc1ccccc1

InChI

1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2

chave InChI

IZJDOKYDEWTZSO-UHFFFAOYSA-N

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Descrição geral

Phenethyl isothiocyanate, an organic isothiocyanate, is a cruciferous vegetable ingredient present as a glucosinolate in cabbage, turnips, radishes, etc. It is a well-known chemopreventive agent reported to be effective against cancers affecting the lung, breast, pancreas, prostate and so on.

Aplicação

Phenethyl isothiocyanate may be used as an analytical standard for the determination of the analyte in biological samples and vegetable extracts by various chromatography techniques.

Pictogramas

Health hazardExclamation mark
GHS08,GHS07

Palavra indicadora

Danger

Classificações de perigo

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

Órgãos-alvo

Respiratory system

Código de classe de armazenamento

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

Classe de risco de água (WGK)

WGK 3

Ponto de fulgor (°F)

235.4 °F - closed cup

Ponto de fulgor (°C)

113 °C - closed cup

Escolha uma das versões mais recentes:

Certificados de análise (COA)

Lot/Batch Number
BCCG4579
BCCC5369
BCBW8277
BCBW1625
BCBS0265V

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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
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
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
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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