32393-32-1

Basic information

• Product Name: 1-PHENYLETHYL ISOTHIOCYANATE
• Synonyms: DL-A-METHYLBENZYL ISOTHIOCYANATE;DL-ALPHA-METHYLBENZYL ISOTHIOCYANATE;DL-METHYLBENZYLISOTHIOCYANATE;AKOS B006482;(-)-ALPHA-METHYLBENZYL ISOTHIOCYANATE;ALPHA-METHYLBENZYL ISOTHIOCYANATE;(1-ISOTHIOCYANATO-ETHYL)-BENZENE;(-)-1-PHENYLETHYL ISOTHIOCYANATE
• CAS NO: 32393-32-1
• Molecular Formula: C₉H₉NS
• Molecular Weight: 163.24
• Mol File: 32393-32-1.mol
• Article Data: 23

Chemical Properties

• Boiling Point: 132-133 °C (20 mmHg)
• Flash Point: 103 °C
• Appearance: /
• Density: 1,06 g/cm3
• CAS DataBase Reference: 1-PHENYLETHYL ISOTHIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-PHENYLETHYL ISOTHIOCYANATE(32393-32-1)
• EPA Substance Registry System: 1-PHENYLETHYL ISOTHIOCYANATE(32393-32-1)

Safety Data

• Hazard Codes: C
• Statements: 34-20/21/22
• Safety Statements: 45-36/37/39-26
• RIDADR: 2810
• Hazardous Substances Data: 32393-32-1(Hazardous Substances Data)

Usage

General Description

1-Phenylethyl Isothiocyanate (PEITC) is a naturally occurring bioactive compound found as a glucosinolate in several cruciferous vegetables like cauliflower, Brussels sprouts and, particularly, watercress. Known for its chemoprotective properties, PEITC has been extensively researched in medical and scientific fields for its anti-carcinogenic effects. The compound acts by inhibiting the activation of carcinogens and inducing the apoptosis of cancer cells. Despite its benefits, PEITC can also have some toxicity. The chemical structure of PEITC includes a phenyl group (an aromatic ring) and an isothiocyanate group (-N=C=S), which confer the molecule with its properties.

Upstream product

• 592-85-8 mercury(II) thiocyanate 
• 585-71-7 (1-bromoethyl)benzne 
• 463-71-8 thiophosgene 
• 100-42-5 styrene 
• 7664-93-9 sulfuric acid 
• 540-72-7 sodium thiocyanide 
• 98-85-1 1-Phenylethanol 
• 76926-65-3 C₁₁H₁₅NS₂ 
• 104-94-9 4-methoxy-aniline 
• 62-53-3 aniline 
• 75-15-0 carbon disulfide 
• 1268136-35-1 N,N-dimethyl-N'-(1-phenylethyl)acetimidamide 
• 13437-79-1 (α)-methylbenzylamine hydrochloride 
• 618-36-0 rac-methylbenzylamine 

Downstream Products

• 67398-34-9 N-(α-methylbenzyl)thiourea 
• 64551-88-8 (+/-)-N-(1-phenylethyl)thioacetamide 
• 74548-41-7 3-(2-hydroxyethyl)-1-(1-phenylethyl)thiourea 
• 4312-18-9 4-(α-Methyl-benzyl)-2-methyl-thiosemicarbazid 
• 61290-89-9 1-Allyl-3-(1-phenyl-ethyl)-thiourea 
• 74548-49-5 1-(3-Hydroxy-propyl)-3-(1-phenyl-ethyl)-thiourea 
• 62983-09-9 2,N,N-Trimethyl-2-[3-(1-phenyl-ethyl)-thioureido]-propionamide 
• 132141-50-5 3,5-diphenyl-5-methyldithiohydantoin 
• 917965-96-9 5-methyl-4,5-diphenyloxazolidine-2-thione 
• 1070899-18-1 2-[aza(4-fluoroindanyl)methylene](1,3-thiazolidine-3-yl)(alpha-methylbenzylamino)methane-1-thione 
• 874288-85-4 5-(1-phenyl-ethylamino)-thiazole-4-carboxylic acid ethyl ester 
• 64528-66-1 2,2-dimethyl-N-[1-phenylethyl]propanethioamide 
• 64551-86-6 N-[1-phenylethyl]benzenecarbothioamide 
• 76176-60-8 N,N-dimethyl-N'-(1-phenyl-ethyl)-thiourea 

Relevant articles and documents

Tetrabutylammonium Iodide/I2 Mediated Convenient and Green Synthesis of Substituted Organic Isothiocyanates

-

Reaction of Thiocarbonyl Fluoride Generated from Difluorocarbene with Amines

The reaction of thiocarbonyl fluoride, generated from difluorocarbene, with various amines under mild conditions is described. Secondary amines, primary amines, and o-phenylenediamines are converted to thiocarbamoyl fluorides, isothiocyanates, and difluoromethylthiolated heterocycles, respectively. Thiocarbamoyl fluorides were further transformed into trifluoromethylated amines by using a one-pot process. Thiocarbonyl fluoride is generated in situ and is rapidly fully converted in one pot under mild conditions; therefore, no special safety precautions are needed.

Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor

Macrophage migration inhibitory factor (MIF) is a pleiotropic cytokine that has roles in the innate immune response, and also contributes to inflammatory disease. While the biological properties of MIF are closely linked to protein-protein interactions, M