6976-69-8

Basic information

• Product Name: Propyl 4-methylbenzoate
• Synonyms: Propyl 4-methylbenzoate
• CAS NO: 6976-69-8
• Molecular Formula: C₁₁H₁₄O₂
• Molecular Weight: 178.23
• Mol File: 6976-69-8.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 249.8°C at 760 mmHg
• Flash Point: 109°C
• Appearance: /
• Density: 1.009g/cm³
• Vapor Pressure: 0.0225mmHg at 25°C
• Refractive Index: 1.501
• CAS DataBase Reference: Propyl 4-methylbenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: Propyl 4-methylbenzoate(6976-69-8)
• EPA Substance Registry System: Propyl 4-methylbenzoate(6976-69-8)

Safety Data

• Hazardous Substances Data: 6976-69-8(Hazardous Substances Data)

Usage

InChI:InChI=1/C11H14O2/c1-3-8-13-11(12)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3

Upstream product

• 71-23-8 propan-1-ol 
• 99-94-5 p-Toluic acid 
• 589-18-4 4-Methylbenzyl alcohol 
• 124-38-9 carbon dioxide 
• 13688-78-3 trifluoro-4-methylphenylsilane 
• 107-08-4 1-iodo-propane 
• 4160-52-5 1-(4-methylphenyl)butan-1-one 
• 619-55-6 para-methylbenzamide 
• 104-87-0 4-methyl-benzaldehyde 
• 192935-78-7 3-phenyl-1-(2-(p-tolylethynyl)phenyl)prop-2-yn-1-ol 
• 201230-82-2 carbon monoxide 
• 624-31-7 4-tolyl iodide 
• 91967-70-3 4-methylbenzyl propyl ether 

Relevant articles and documents

Synthesis of Esters by Functionalisation of CO2

The invention relates to a method for (I) producing a carboxylic ester of formula (I). Said method comprises the steps of: a) bringing an organosilane/borane of formula Si or B into contact with CO2, in the presence of a catalyst and an electrophilic compound of formula (III), the groups R1, R2, R3, R4, R5, Y, and M′ being as defined in claim 1; and optionally b) recovering the compound of formula (I) produced.

Efficient Baeyer-Villiger electro-oxidation of ketones with molecular oxygen using an activated carbon fiber electrode in ionic liquid [bmim][OTf]

A new and efficient method for the synthesis of lactones and esters involving the application of an molecular oxygen-based electro-catalytic oxidation system and ionic liquid [bmim][OTf] as electrolyte has been developed. The reaction between various ketones with molecular oxygen proceeds in a three-electrode cell under constant current conditions in [bmim][OTf] at room temperature to give the corresponding esters and lactones in good to excellent isolated yield. Additionally, the possible mechanism of Baeyer-Villiger oxidation of ketones in the electro-catalytic system is proposed.

Efficient and simple approaches towards direct oxidative esterification of alcohols

The present article describes novel oxidative protocols for direct esterification of alcohols. The protocols involve successful demonstrations of both "cross" and "self" esterification of a wide variety of alcohols. The cross-esterification proceeds under a simple transition-metal-free condition, containing catalytic amounts of TEMPO (2,2,6,6-tetramethyl-1-piperidinyloxy)/TBAB (tetra-n-butylammonium bromide) in combination with oxone (potassium peroxo monosulfate) as the oxidant, whereas the self-esterification is achieved through simple induction of Fe(OAc)2/dipic (dipic=2,6-pyridinedicarboxylic acid) as the active catalyst under an identical oxidizing environment. One-pot oxidative esterification: A wide variety of alcohols undergo transition-metal-free (in the presence of oxone/2,2,6,6-tetramethyl-1-piperidinyloxy (TEMPO)/tetra-n-butylammonium bromide (TBAB)) selective "cross" esterification in moderate to excellent yields (see Figure). The "self" esterification process has however been achieved in the presence of Fe(OAc)2/2,6-pyridinedicarboxylic acid (dipic) as the active catalytic species under a similar oxidizing environment.