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253731

Sigma-Aldrich

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
Beilstein:
2084162
EC Number:
218-855-5
MDL number:
MFCD00004821
UNSPSC Code:
12352100
PubChem Substance ID:
24855324
NACRES:
NA.22

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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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

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

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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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
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
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
Wen-jing Wu et al.
Biochemical pharmacology, 85(4), 486-496 (2012-12-12)
Platinum (Pt)-based chemotherapy is an important regimen in the clinical treatment of cancer, but development of drug resistance presents a major challenge. One key mechanism involved in resistance to Pt drugs is the decrease of intracellular Pt due to the
Parul Gupta et al.
BMC medicine, 10, 80-80 (2012-07-25)
HER2 is an oncogene, expression of which leads to poor prognosis in 30% of breast cancer patients. Although trastuzumab is apparently an effective therapy against HER2-positive tumors, its systemic toxicity and resistance in the majority of patients restricts its applicability.
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