Merck
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68488

Supelco

Phenethyl isothiocyanate

analytical standard

Synonym(s):
PEITC, 2-Phenylethyl isothiocyanate
Linear Formula:
C6H5CH2CH2NCS
CAS Number:
Molecular Weight:
163.24
Beilstein:
2084162
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.24

grade

analytical standard

Quality Level

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

SMILES string

S=C=NCCc1ccccc1

InChI

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

InChI key

IZJDOKYDEWTZSO-UHFFFAOYSA-N

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General description

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.

Application

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.

Pictograms

Exclamation markHealth hazard

Signal Word

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

Storage Class Code

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

Certificate of Analysis

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Certificate of Origin

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