29240-30-0

Basic information

• Product Name: p-Toluic acid isobutyl ester
• Synonyms: 4-Methylbenzoic acid isobutyl ester;p-Toluic acid isobutyl ester;Benzoic acid, 4-Methyl-, 2-Methylpropyl ester
• CAS NO: 29240-30-0
• Molecular Formula: C₁₂H₁₆O₂
• Molecular Weight: 192.25
• Mol File: 29240-30-0.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 262.1°C at 760 mmHg
• Flash Point: 115.1°C
• Appearance: /
• Density: 0.993g/cm³
• Vapor Pressure: 0.0111mmHg at 25°C
• Refractive Index: 1.497
• CAS DataBase Reference: p-Toluic acid isobutyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: p-Toluic acid isobutyl ester(29240-30-0)
• EPA Substance Registry System: p-Toluic acid isobutyl ester(29240-30-0)

Safety Data

• Hazardous Substances Data: 29240-30-0(Hazardous Substances Data)

Usage

InChI:InChI=1/C12H16O2/c1-9(2)8-14-12(13)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3

Upstream product

• 78-83-1 2-methyl-propan-1-ol 
• 874-60-2 4-methyl-benzoyl chloride 
• 589-18-4 4-Methylbenzyl alcohol 
• 104-87-0 4-methyl-benzaldehyde 

Downstream Products

• 303749-78-2 C₁₂H₁₅BrO₂ 

Relevant articles and documents

Metal-Free Oxidative Cross Esterification of Alcohols via Acyl Chloride Formation

A novel metal-free oxidative cross esterification of alcohols has been achieved using trichloroisocyanuric acid as an oxidant. The alcohols were converted in situ into their corresponding acyl chlorides, which were then reacted with primary and secondary aliphatic, benzylic and allylic alcohols and phenols. A wide variety of esters was obtained in satisfactory yields.

Palladium-catalysed oxidative cross-esterification between two alcohols

A simple palladium-catalysed oxidative cross-coupling between two different alcohols was developed. Various benzylic alcohols could couple with aliphatic alcohols in excellent yields. The use of benzyl chloride as the oxidant and the amount of aliphatic alcohol were both important for achieving the reaction selectivity.