21086-87-3

Basic information

• Product Name: (4-methylphenyl)methyl p-toluate
• Synonyms: (4-methylphenyl)methyl p-toluate;4-Methylbenzoic acid (4-methylphenyl)methyl ester;p-Toluic acid 4-methylbenzyl ester;Benzoic acid, 4-methyl-, (4-methylphenyl)methyl ester;Einecs 244-206-0;p-Methylbenzyl p-toluate
• CAS NO: 21086-87-3
• Molecular Formula: C₁₆H₁₆O₂
• Molecular Weight: 240.29704
• EINECS: 244-206-0
• Mol File: 21086-87-3.mol
• Article Data: 67

Chemical Properties

• Boiling Point: 360.5°Cat760mmHg
• Flash Point: 158.1°C
• Appearance: /
• Density: 1.089g/cm³
• Vapor Pressure: 2.21E-05mmHg at 25°C
• Refractive Index: 1.568
• CAS DataBase Reference: (4-methylphenyl)methyl p-toluate(CAS DataBase Reference)
• NIST Chemistry Reference: (4-methylphenyl)methyl p-toluate(21086-87-3)
• EPA Substance Registry System: (4-methylphenyl)methyl p-toluate(21086-87-3)

Safety Data

• Hazardous Substances Data: 21086-87-3(Hazardous Substances Data)

Usage

General Description

(4-methylphenyl)methyl p-toluate is a chemical compound that belongs to the class of esters. It is composed of a 4-methylphenyl (also known as p-tolyl) group attached to a methyl group through an ester linkage. The compound is commonly used as a fragrance and flavoring agent in the manufacture of various products such as perfumes, cosmetics, and food items. It is also used as a chemical intermediate in the synthesis of other organic compounds. Additionally, it may have potential applications in the field of organic synthesis and materials science due to its unique structural and chemical properties. Overall, (4-methylphenyl)methyl p-toluate is a versatile compound with a wide range of industrial and scientific applications.

InChI:InChI=1/C16H16O2/c1-12-3-7-14(8-4-12)11-18-16(17)15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3

Upstream product

• 104-87-0 4-methyl-benzaldehyde 
• 589-18-4 4-Methylbenzyl alcohol 
• 874-60-2 4-methyl-benzoyl chloride 
• 74-88-4 methyl iodide 
• 99-94-5 p-Toluic acid 
• 7553-56-2 iodine 
• 100-52-7 benzaldehyde 
• 104-81-4 4-Methylbenzyl bromide 
• 59046-28-5 p-toluoyl-1H-1,2,3-benzotriazole 
• 100-21-0 terephthalic acid 
• 116-14-3 polytetrafluoroethylene 
• 74-85-1 ethene 
• 1942-45-6 4-Octyne 
• 874-58-8 4-methylbenzoyl bromide 

Downstream Products

• 1143018-79-4 4,4,5,5-tetramethyl-2-((4-methylbenzyl)oxy)-1,3,2-dioxaborolane 

Relevant articles and documents

Selective Catalytic Formation of Cross-Tetramers from Tetrafluoroethylene, Ethylene, Alkynes, and Aldehydes via Nickelacycles as Key Reaction Intermediates

In the presence of a catalytic amount of Ni(cod)2 (cod = 1,5-cyclooctadiene) and PCy3 (Cy = cyclohexyl), the cross-tetramerization of tetrafluoroethylene (TFE), ethylene, alkynes, and aldehydes leads to a variety of fluorine-containing enone derivatives. This reaction is the first example of a highly selective cross-tetramerization between four different unsaturated compounds. Stoichiometric reactions revealed that the present reaction involves partially fluorinated five- and seven-membered nickelacycles as key reaction intermediates.

N-Aroylbenzotriazoles as Efficient Reagents for o-Aroylation in Absence of Organic Solvent

N-Aroylbenzotriazoles have been shown to be efficient reagents for esterification in the absence of organic solvent. Grinding of N-aroylbenzoytiazoles with twofold excess of alcohols for a couple of hours at room temperature gave corresponding esters in high percentage of yields.

Disproportionation of aliphatic and aromatic aldehydes through Cannizzaro, Tishchenko, and Meerwein–Ponndorf–Verley reactions

Disproportionation of aldehydes through Cannizzaro, Tishchenko, and Meerwein–Ponndorf–Verley reactions often requires the application of high temperatures, equimolar or excess quantities of strong bases, and is mostly limited to the aldehydes with no CH2 or CH3 adjacent to the carbonyl group. Herein, we developed an efficient, mild, and multifunctional catalytic system consisting AlCl3/Et3N in CH2Cl2, that can selectively convert a wide range of not only aliphatic, but also aromatic aldehydes to the corresponding alcohols, acids, and dimerized esters at room temperature, and in high yields, without formation of the side products that are generally observed. We have also shown that higher AlCl3 content favors the reaction towards Cannizzaro reaction, yet lower content favors Tishchenko reaction. Moreover, the presence of hydride donor alcohols in the reaction mixture completely directs the reaction towards the Meerwein–Ponndorf–Verley reaction. Graphic abstract: [Figure not available: see fulltext.].