37141-50-7

Basic information

• Product Name: m-methylbenzyl thiocyanate
• Synonyms: m-methylbenzyl thiocyanate;Thiocyanic acid (3-methylphenyl)methyl ester;3-Methylbenzyl thiocyate, 98%
• CAS NO: 37141-50-7
• Molecular Formula: C₉H₉NS
• Molecular Weight: 163.23946
• EINECS: 253-365-5
• Mol File: 37141-50-7.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 274.8°Cat760mmHg
• Flash Point: 120°C
• Appearance: /
• Density: 1.119g/cm³
• Vapor Pressure: 0.00529mmHg at 25°C
• Refractive Index: 1.579
• CAS DataBase Reference: m-methylbenzyl thiocyanate(CAS DataBase Reference)
• NIST Chemistry Reference: m-methylbenzyl thiocyanate(37141-50-7)
• EPA Substance Registry System: m-methylbenzyl thiocyanate(37141-50-7)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 37141-50-7(Hazardous Substances Data)

Usage

General Description

m-Methylbenzyl thiocyanate, also known as 3-Methylbenzyl thiocyanate, is a chemical compound with the molecular formula C9H9NS. It is a colorless to light yellow liquid with a pungent, garlic-like odor. This chemical is commonly used as a flavoring agent in the food industry, particularly in the production of garlic and onion flavored food products. It is also used as a fragrance ingredient in the cosmetic and personal care industries. m-Methylbenzyl thiocyanate is considered safe for use in food and cosmetic products when used in accordance with regulations and guidelines.

InChI:InChI=1/C9H9NS/c1-8-3-2-4-9(5-8)6-11-7-10/h2-5H,6H2,1H3

Upstream product

• 506-68-3 bromocyane 
• 620-13-3 1-bromomethyl-3-methyl-benzene 
• 1147550-11-5 ammonium thiocyanate 
• 5961-98-8 thiocyanatochloride 
• 108-38-3 m-xylene 
• 620-19-9 1-chloromethyl-3-methyl-benzene 
• 333-20-0 potassium thioacyanate 
• 540-72-7 sodium thiocyanide 
• 587-03-1 3-methylbenzyl alcohol 

Downstream Products

• 66923-72-6 (3-Methyl-benzyl)-(2,4-dinitro-phenyl)-sulfid 
• 61819-81-6 1,4-dimethyl-2-(3-methylbenzyl) benzene 

Relevant articles and documents

AIBN-initiated direct thiocyanation of benzylic sp3C-H with: N -thiocyanatosaccharin

Direct thiocyanations of benzylic compounds have been implemented. Here, a new strategy, involving a free radical reaction pathway initiated by AIBN, was used to construct the benzylic sp3 C-SCN bond. In this way, the disadvantage of other strategies involving introducing leaving groups in advance to synthesize benzyl thiocyanate compounds was overcome. The currently developed protocol also involved the use of readily available raw materials and resulted in high product yields (up to 100%), both being great advantages for synthesizing benzyl thiocyanates.

Crown ether functionalized magnetic hydroxyapatite as eco-friendly microvessel inorganic-organic hybrid nanocatalyst in nucleophilic substitution reactions: an approach to benzyl thiocyanate, cyanide, azide and acetate derivatives

In this paper, high catalytic activity of 4′,4″-diformyl dibenzo-18-crown-6 anchored onto the functionalized magnetite hydroxyapatite (γ-Fe2O3@HAp–Crown) as a new, versatile and magnetically recoverable catalyst, was prepared. It evaluated as phase-transfer catalyst and molecular host system for nucleophilic substitution reactions of benzyl halides with thiocyanate, cyanide, azide and acetate anions in water. No evidence for the formation of by-products was observed and the products obtained in pure form without further purification. The nanocomposite was easily removed from solution via application of a magnetic field, allowing straightforward recovery and reuse. The synthesized nanocomposite was characterized by several techniques such as FT-IR, TGA-DTG, EDX, XRD, BET, FE-SEM, TEM and VSM.

β-Cyclodextrin conjugated magnetic nanoparticles as a novel magnetic microvessel and phase transfer catalyst: Synthesis and applications in nucleophilic substitution reaction of benzyl halides

This paper presents a feasible protocol for the preparation of β-cyclodextrin conjugated Fe3O4 magnetic nanoparticles as an efficient microvessel and host system for nucleophilic substitution reaction of benzyl halides in water. No evidence for the formation of by-product for example isothiocyanate or benzyl alcohol was observed and the products were obtained in pure form without further purification. The characteristics results of FT-IR, XRD, TGA and SEM shows that β-CD is grafted onto Fe3O4 nanoparticles. The nanomagnetic catalyst could be readily separated from solution via application of an external magnet, allowing straightforward recovery and reuse.