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253731

Sigma-Aldrich

Phenethyl isothiocyanate

99%

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Synonym(s):
2-Phenylethyl isothiocyanate
Linear Formula:
C6H5CH2CH2NCS
CAS Number:
Molecular Weight:
163.24
Beilstein/REAXYS Number:
2084162
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

99%

form

liquid

refractive index

n20/D 1.5888 (lit.)

bp

139-140 °C/11 mmHg (lit.)

density

1.094 g/mL at 25 °C (lit.)

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

Gene Information

human ... CYP1A2(1544)

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1 of 4

This Item
W401404252492253790
vibrant-m

253731

Phenethyl isothiocyanate

vibrant-m

W401404

2-Phenylethyl isothiocyanate

vibrant-m

252492

Benzyl isothiocyanate

vibrant-m

253790

Butyl isothiocyanate

assay

99%

assay

-

assay

98%

assay

99%

refractive index

n20/D 1.5888 (lit.)

refractive index

n20/D 1.5888 (lit.)

refractive index

n20/D 1.601 (lit.)

refractive index

n20/D 1.5 (lit.)

bp

139-140 °C/11 mmHg (lit.)

bp

139-140 °C/11 mmHg (lit.)

bp

242-243 °C (lit.)

bp

70-71 °C/35 mmHg (lit.)

form

liquid

form

-

form

liquid

form

liquid

storage temp.

2-8°C

storage temp.

-

storage temp.

2-8°C

storage temp.

-

General description

Phenethyl isothiocyanate is a naturally occurring isothiocyanate in cruciferous vegetables. Phenethyl isothiocyanate is a chemopreventive agent. It inhibits cancer cell growth by arresting the cell cycle and inducing apoptosis in various human cancer cell models.

pictograms

Exclamation markHealth hazard

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

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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Yating Wang et al.
Molecular medicine reports, 10(1), 543-549 (2014-05-03)
Phenethyl isothiocyanate (PEITC), a potential cancer chemopreventive constituent of cruciferous vegetables, including watercress, has been reported to inhibit cancer cell growth by arresting the cell cycle and inducing apoptosis in various human cancer cell models. However, the role of PEITC
Marilyn E Morris et al.
The AAPS journal, 16(4), 705-713 (2014-05-14)
Phenethyl isothiocyanate (PEITC)-a naturally occurring isothiocyanate in cruciferous vegetables-has been extensively studied as a chemopreventive agent in several preclinical species and in humans. Pharmacokinetic features of unchanged PEITC are (I) linear and first-order absorption, (II) high protein binding and capacity-limited
L D Huong et al.
Oral diseases, 18(5), 513-519 (2012-02-09)
β-Phenylethyl isothiocyanate (PEITC) has been demonstrated to fight many types of cancers through various molecular pathways. In this study, we focused on its effect on the induction of apoptosis to inhibit cell growth and molecular mechanism in oral cancer. 3-(4,5-dimethylthiazol-2-yl)-5-(2,4-disulfophenyl)-2-(4
Ka Lung Cheung et al.
The AAPS journal, 12(1), 87-97 (2009-12-17)
Development of cancer is a long-term and multistep process which comprises initiation, progression, and promotion stages of carcinogenesis. Conceivably, it can be targeted and interrupted along these different stages. In this context, many naturally occurring dietary compounds from our daily
Andrzej Pawlik et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 50(10), 3577-3594 (2012-08-01)
Isothiocyanates are known for their anticarcinogenic and antitumor potential, however, the exact mechanism of their action has not been fully elucidated. The present study was designed to investigate and compare the effects of phenethyl isothiocyanate on cell morphology, the cytoskeleton

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