Phenethyl isothiocyanate


2-Phenylethyl isothiocyanate
Linear Formula:
CAS Number:
Molecular Weight:
Beilstein/REAXYS Number:
EC Number:
MDL number:
PubChem Substance ID:
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Quality Level



refractive index

n20/D 1.5888 (lit.)


139-140 °C/11 mmHg (lit.)


1.094 g/mL at 25 °C (lit.)

storage temp.


SMILES string




InChI key


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.


5 g in glass bottle


Exclamation markHealth hazard

Signal Word


Target Organs

Respiratory system

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves


UN 2206PSN2C 6.1 / PGIII

WGK Germany


Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

  1. Which document(s) contains shelf-life or expiration date information for a given product?

    If available for a given product, the recommended re-test date or the expiration date can be found on the Certificate of Analysis.

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    The lot specific COA document can be found by entering the lot number above under the "Documents" section.

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    Transportation information can be found in Section 14 of the product's (M)SDS.To access the shipping information for this material, use the link on the product detail page for the product. 

  5. What is the molarity of Product 253731, Phenethyl isothiocyanate?

    Product 253731, Phenethyl isothiocyanate, is a neat liquid rather than a solution. The apparent molarity may be calculated by dividing the density by the molecular weight. Using a density of 1.094 g/ml, or 1094 g/L and molecular weight of 163.24 g/mole, the molarity is 6.70 moles/L.

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Ka Lung Cheung et al.
The AAPS journal, 10(2), 277-281 (2008-05-14)
Phenethyl isothiocyanate (PEITC), an isothiocyanate abundantly found in cruciferous vegetables have been shown to induce apoptosis through MAPK pathway in prostate and colon cancer cells. In the present study, we investigate the effect of PEITC on cell cycle regulation of...
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...

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