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MilliporeSigma

253731

Phenethyl isothiocyanate

99%

Synonym(s):

2-Phenylethyl isothiocyanate

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About This Item

Linear Formula:
C6H5CH2CH2NCS
CAS Number:
2257-09-2
Molecular Weight:
163.24
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24855324
EC Number:
218-855-5
Beilstein/REAXYS Number:
2084162
MDL number:
MFCD00004821
Assay:
99%
Form:
liquid

Key Documents

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InChI key

IZJDOKYDEWTZSO-UHFFFAOYSA-N

InChI

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

SMILES string

S=C=NCCc1ccccc1

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.)

functional group

amine, isothiocyanate, phenyl

storage temp.

2-8°C

Quality Level

100

Gene Information

human ... CYP1A2(1544)

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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

Health hazardExclamation mark
GHS08,GHS07

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

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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Certificates of Analysis (COA)

Lot/Batch Number
SHBS3522
SHBP4762
SHBP3356
SHBM9432
SHBL9110

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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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