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

• 99-94-5 p-Toluic acid 
• 7553-56-2 iodine 
• 104-87-0 4-methyl-benzaldehyde 
• 100-52-7 benzaldehyde 
• 589-18-4 4-Methylbenzyl alcohol 
• 100-21-0 terephthalic acid 
• 104-81-4 4-Methylbenzyl bromide 
• 874-58-8 4-methylbenzoyl bromide 
• 67-56-1 methanol 
• 97470-44-5 bis(p-methylbenzyl) sulfite 
• 106-42-3 para-xylene 
• 103-67-3 benzyl-methyl-amine 
• 123-11-5 4-methoxy-benzaldehyde 
• 874-60-2 4-methyl-benzoyl chloride 

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.

Sodium organoaluminate containing bidentate pyrrolyl ligand: Synthesis, structure, and catalytic activity for the Tishchenko reaction

An novel sodium organoaluminate containing bidentate pyrrolyl ligand [C4H3NH(2-CH2NHtBu)] was efficiently synthesized and characterized by X-ray crystallography. The molecular structure shows it is a monodimensional infinite chain structures with linear arrangements. Its basic repeat unit comprises the Al atom bonded to two deprotonated pyrrole rings and Na atom coordinated to of nitrogen atoms of –NtBu fragment, which undergoes further to coordinates a pyrrolyl ring of an adjacent molecule in a ?2-fasion. Furthermore, this sodium organoaluminate exhibited high catalytic activities for Tishchenko reaction.

Recovery of Arenes from Polyethylene Terephthalate (PET) over a Co/TiO2 Catalyst

Upcycling of spent plastics has become a more emergent topic than ever before due to the rapid generation of plastic waste associated with the change of lifestyles of the human society. Polyethylene terephthalate (PET) is a major aromatic plastic and herein, the conversion of PET back into arenes was demonstrated in a one-pot reaction combining depolymerization and hydrodeoxygenation (HDO) over a Co/TiO2 catalyst. The effectiveness of the Co/TiO2 catalyst in HDO and the underlining reaction pathway were established using the PET monomer terephthalic acid (TPA) as the substrate. Quantitative TPA conversion together with 75.2 mol% xylene and toluene selectivity under 30 bar initial H2 pressure at 340 °C was achieved after 4 h reaction. More encouragingly, the catalyst induced both depolymerization and HDO reaction via C?O bond cleavage when PET was used as a substrate. 78.9 mol% arenes (toluene and xylene) was obtained under optimized conditions.