58687-92-6

Basic information

• Product Name: 1-phenylpropyl benzoate
• CAS NO: 58687-92-6
• Molecular Formula: C₁₆H₁₆O₂
• Molecular Weight: 240.297
• Mol File: 58687-92-6.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 342.5°C at 760 mmHg
• Flash Point: 146.3°C
• Density: 1.083g/cm³
• Vapor Pressure: 7.49E-05mmHg at 25°C
• Refractive Index: 1.56
• CAS DataBase Reference: 1-phenylpropyl benzoate(CAS DataBase Reference)
• NIST Chemistry Reference: 1-phenylpropyl benzoate(58687-92-6)
• EPA Substance Registry System: 1-phenylpropyl benzoate(58687-92-6)

Safety Data

• Hazardous Substances Data: 58687-92-6(Hazardous Substances Data)

Usage

Molecular structure

A chemical compound consisting of a benzene ring attached to a propyl group and an ester group.

Usage

Commonly used as a fragrance ingredient in perfumes, soaps, and cosmetics.

Odor

Possesses a pleasant floral and fruity odor.

Flavoring agent

Utilized as a flavoring agent in food products.

Insect repellent ingredient

Acts as an ingredient in insect repellents.

Safety

Considered relatively safe for use in its applications, with low risk of toxicity or irritant effects.

Potential applications

May have future industrial and pharmaceutical applications due to its unique odor and chemical properties.

Upstream product

• 65-85-0 benzoic acid 
• 93-54-9 1-Phenyl-1-propanol 
• 93-97-0 benzoic acid anhydride 
• 614-16-4 Benzoylacetonitrile 
• 52686-70-1 triethylamine-1-(2-naphthylethyl)borane 
• 103-65-1 phenylpropane 
• 100-51-6 benzyl alcohol 
• 6597-18-8 (dibenzoyloxyiodo)benzene 
• 98-88-4 benzoyl chloride 
• 1565-74-8 (R)-1-phenyl-1-propanol 
• 94-36-0 dibenzoyl peroxide 
• 2315-68-6 propyl benzoate 
• 6819-41-6 sodium n-propoxide 

Downstream Products

• 93-54-9 1-Phenyl-1-propanol 
• 65-85-0 benzoic acid 

Relevant articles and documents

Size-Induced Inversion of Selectivity in the Acylation of 1,2-Diols

Relative rates for the Lewis base-catalyzed acylation of aryl-substituted 1,2-diols with anhydrides differing in size have been determined by turnover-limited competition experiments and absolute kinetics measurements. Depending on the structure of the anhydride reagent, the secondary hydroxyl group of the 1,2-diol reacts faster than the primary one. This preference towards the secondary hydroxyl group is boosted in the second acylation step from the monoesters to the diester through size and additional steric effects. In absolute terms the first acylation step is found to be up to 35 times faster than the second one for the primary alcohols due to neighboring group effects.

Synthesis of acyclic ketones by catalytic, bidirectional homologation of formaldehyde with nonstabilized diazoalkanes. Application of a chiral diazomethyl(pyrrolidine) in total syntheses of erythroxylon alkaloids

This work offers a catalytic approach to convergent ketone assembly based upon formal and tandem C-H insertion of diazoalkanes in the presence of limiting amounts of monomeric formaldehyde, which is easily generated as a gas by thermolysis of the inexpensive and abundant paraformaldehyde (～30 USD/kg). The method forms di-, tri-, and even tetrasubstituted acetones with high efficiency, and it has streamlined a synthesis of (-)-dihydrocuscohygrine in which the absolute stereochemistry of a proline-based starting material is preserved. Assisted by the advent of new protocols for hydrazone oxidation, we also provide full details on handling non-carbonyl-stabilized diazo compounds.

Benzylic-acetoxylation of alkylbenzenes with PhI(OAc)2 in the presence of catalytic amounts of TsNH2 and I2

Treatment of alkylbenzenes with (diacetoxyiodo)benzene in the presence of catalytic amounts of p-toluenesulfonamide or p-nitrobenzenesulfonamide, and molecular iodine in 1,2-dichloroethane at 60 °C gave the corresponding (α-acetoxy)alkylbenzenes in good to moderate yields. The present reaction is a simple method for the introduction of an acetoxy group to the benzylic position of alkylbenzenes.