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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
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Quality Segment

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

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)

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.

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Pictograms

Health hazardExclamation mark
GHS08,GHS07

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

10 - Combustible liquids

WGK

WGK 3

Flash Point (°F)

235.4 °F - closed cup

Flash Point (°C)

113 °C - closed cup

PPE (personal protective equipment)

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

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