6976-74-5

Basic information

• Product Name: pentyl 4-methylbenzoate
• Synonyms: Pentyl 4-methylbenzoate; p-Toluic acid, pentyl ester
• CAS NO: 6976-74-5
• Molecular Formula: C₁₃H₁₈O₂
• Molecular Weight: 206.2808
• Mol File: 6976-74-5.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 285.6°C at 760 mmHg
• Flash Point: 126.6°C
• Density: 0.984g/cm³
• Vapor Pressure: 0.00277mmHg at 25°C
• Refractive Index: 1.497
• CAS DataBase Reference: pentyl 4-methylbenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: pentyl 4-methylbenzoate(6976-74-5)
• EPA Substance Registry System: pentyl 4-methylbenzoate(6976-74-5)

Safety Data

• Hazardous Substances Data: 6976-74-5(Hazardous Substances Data)

Usage

Description

Pentyl 4-methylbenzoate is a versatile ester compound that consists of a pentyl group and a 4-methylbenzoate group, derived from benzoic acid. It is known for its sweet, fruity aroma and is widely used in various applications due to its unique properties.

Uses

Used in Flavor and Fragrance Industry:
Pentyl 4-methylbenzoate is used as a flavoring agent and fragrance in food, cosmetic, and industrial products for its sweet, fruity aroma, enhancing the scent of many consumer goods.
Used in Insecticidal and Antimicrobial Applications:
Pentyl 4-methylbenzoate has been studied for its potential insecticidal and antimicrobial properties, making it a multi-functional chemical compound with applications in controlling pests and inhibiting microbial growth.

Upstream product

• 71-41-0 pentan-1-ol 
• 104-87-0 4-methyl-benzaldehyde 
• 99-94-5 p-Toluic acid 
• 1669-33-6 pentyl 4-methylphenyl ketone 
• 638-49-3 n-pentyl formate 
• 589-18-4 4-Methylbenzyl alcohol 
• 874-60-2 4-methyl-benzoyl chloride 

Relevant articles and documents

PPh3/Selectfluor-Mediated Transformation of Carboxylic Acids into Acid Anhydrides and Acyl Fluorides and Its Application in Amide and Ester Synthesis

By taking the advantage of PPh3/Selectfluor system, carboxylic acids are efficiently converted into the pivotal intermediates acyloxyphosphonium ions that can selectively react with a second carboxylic acid or fluoride to in situ yield the corresponding acid anhydrides or acyl fluorides. The developed protocol features commercially availabile reagents, no involvement of base, room temperature conditions, and simple experimental procedure. Additionally, various amides or esters are readily achieved, respectively, with the addition of amines or alcohols.

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.

Solvent-controlled copper-catalyzed oxidation of benzylic alcohols to aldehydes and esters

A procedure for the copper-catalyzed selective oxidation of primary alcohols to esters and aldehydes was developed. Under solvent-free conditions, self-oxidative esterification and cross-esterification of benzyl alcohols with various aliphatic alcohols proceed smoothly to give the corresponding esters in good yields. If DMF was used as a solvent, the benzyl alcohols were selectively converted into the corresponding aldehydes in excellent yields. Depend on solvent! Under solvent-free conditions, Cu-catalyzed oxidative self-esterification and cross-esterification of benzylic alcohols with various aliphatic alcohols proceed smoothly to give the corresponding esters in good yields. If DMF is used as a solvent, the benzylic alcohols are selectively converted into the corresponding aldehydes in excellent yields. DTBP = di-tert-butyl peroxide. Copyright