5413-58-1

Basic information

• Product Name: propyl mandelate
• Synonyms: propyl hydroxy(phenyl)acetate
• CAS NO: 5413-58-1
• Molecular Formula: C₁₁H₁₄O₃
• Molecular Weight: 194.2271
• Mol File: 5413-58-1.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 298.5°C at 760 mmHg
• Flash Point: 123.2°C
• Density: 1.119g/cm³
• Vapor Pressure: 0.000567mmHg at 25°C
• Refractive Index: 1.523
• CAS DataBase Reference: propyl mandelate(CAS DataBase Reference)
• NIST Chemistry Reference: propyl mandelate(5413-58-1)
• EPA Substance Registry System: propyl mandelate(5413-58-1)

Safety Data

• Hazardous Substances Data: 5413-58-1(Hazardous Substances Data)

Upstream product

• 71-23-8 propan-1-ol 
• 611-71-2 MANDELIC ACID 
• 1074-12-0 phenylglyoxal hydrate 

Downstream Products

• 1401015-53-9 2-ethyl-4-phenyl-5-ethoxy-1,3-oxazole 
• 1401015-51-7 2-methyl-4-phenyl-5-n-propyloxy-1,3-oxazole 
• 31197-63-4 propyl 2-oxo-2-phenylacetate 
• 124-38-9 carbon dioxide 
• 100-52-7 benzaldehyde 
• 106-94-5 propyl bromide 

Relevant articles and documents

Zirconocene-catalyzed direct (trans)esterification of acyl acids (esters) and alcohols in a strict 1:1 ratio under solvent-free conditions

A highly efficient way for the direct (trans)esterification of acyl acids (esters) and alcohols in a strict 1:1 ratio using a zirconocene complex (1, 1 mol%), a strong Lewis acid of good water tolerance, as a catalyst under solvent-free conditions has been developed. A wide range of acid and alcohol (esters) substrates undergo (trans)esterification to produce carboxylic ester motifs in moderate to good or excellent yields with good functional tolerance, such as that towards C-Br as well as CC and CC bonds. And complex 1 can be recycled six times without showing a significant decline in catalytic efficiency. It was demonstrated that cyclandelate, which is used to treat high blood pressure as well as heart and blood-vessel diseases, can be directly synthesized on a gram scale with 81% yield (6.70 g) using complex 1.

A general and simple synthesis of phenylglyoxylic esters via the oxidation of mandelic esters with ammonium chlorochromate adsorbed on alumina

A general method for preparation of phenylglyoxylic esters by oxidation of mandelic esters with readily available ammonium chlorochromate adsorbed on alumina is described.