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68488

Supelco

Phenethylisothiocyanat

analytical standard

Synonym(e):

(2-Phenylethyl)-isothiocyanat

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About This Item

Lineare Formel:
C6H5CH2CH2NCS
CAS-Nummer:
Molekulargewicht:
163.24
Beilstein:
2084162
EG-Nummer:
MDL-Nummer:
UNSPSC-Code:
85151701
PubChem Substanz-ID:
NACRES:
NA.24

Qualität

analytical standard

Qualitätsniveau

Assay

≥98.5% (GC)

Haltbarkeit

limited shelf life, expiry date on the label

Brechungsindex

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

bp

139-140 °C/11 mmHg (lit.)

Dichte

1.094 g/mL at 25 °C (lit.)

Format

neat

Lagertemp.

2-8°C

SMILES String

S=C=NCCc1ccccc1

InChI

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

InChIKey

IZJDOKYDEWTZSO-UHFFFAOYSA-N

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Allgemeine Beschreibung

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.

Anwendung

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.

Piktogramme

Health hazardExclamation mark

Signalwort

Danger

Gefahreneinstufungen

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

Zielorgane

Respiratory system

Lagerklassenschlüssel

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

WGK

WGK 3

Flammpunkt (°F)

235.4 °F - closed cup

Flammpunkt (°C)

113 °C - closed cup


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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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