5413-62-7

Basic information

• Product Name: 1-phenoxypropan-2-yl propanoate
• CAS NO: 5413-62-7
• Molecular Formula: C₁₂H₁₆O₃
• Molecular Weight: 208.2536
• Mol File: 5413-62-7.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 273.8°C at 760 mmHg
• Flash Point: 109.5°C
• Density: 1.042g/cm³
• Vapor Pressure: 0.00562mmHg at 25°C
• Refractive Index: 1.49
• CAS DataBase Reference: 1-phenoxypropan-2-yl propanoate(CAS DataBase Reference)
• NIST Chemistry Reference: 1-phenoxypropan-2-yl propanoate(5413-62-7)
• EPA Substance Registry System: 1-phenoxypropan-2-yl propanoate(5413-62-7)

Safety Data

• Hazardous Substances Data: 5413-62-7(Hazardous Substances Data)

Usage

Type of compound

Propanoate ester

Components

Propanoic acid and 1-phenoxypropan-2-ol

Usage

Flavoring agent, fragrance ingredient, solvent, and industrial process ingredient

Applications

Perfumes, soaps, cosmetics, and various products

Odor

Pleasant floral and fruity

Safety

Relatively safe for use, but should be handled with care to prevent potential hazards or adverse effects

Upstream product

• 105-38-4 vinyl propionate 
• 770-35-4 1-phenoxy-2-propanol 

Relevant articles and documents

Activation of pig liver esterase in organic media with organic polymers. Application to the enantioselective acylation of racemic functionalized secondary alcohols

Pig liver esterase (PLE) shows practically no activity in acylation of alcohols with vinylic esters in organic solvents. However, addition of methoxypoly(ethylene glycol) (MPEG), bovine serum albumin (BSA), TentaGelAmino resin (TGA), or aminomethyl polystyrene (AMPS) confers activity to PLE in acylation of alcohols with vinyl propionate in organic solvents of low water content. Polymer-activated PLE showed high enantioselectivities (E > 100) in the acylation of racemic 1-alkoxy-, 1-ethylsulfanyl-, and 1-fluoro-3-aryl-2-propanols as well as racemic 1-phenoxy-2-propanol and racemic 1-methoxy-2-phenoxy-2-propanol. The synthetic utility of polymer-activated PLE has been demonstrated by the gram-scale resolution of 1-methoxy-3-phenyl-2-propanol, 1-ethylsulfanyl-3-phenyl-2-propanol, 1-methoxy-3-p-methoxyphenyl-2-propanol, 1- fluoro-3-phenyl-2-propanol, and 1-methoxy-3-phenoxy-2-propanol. In PLE-catalyzed acylation of alcohols with vinyl propionate, acetaldehyde and propionic acids, both being detrimental to the enzyme, are formed as byproducts. In addition, the water content of the system, which is critical for the activity of pig liver esterase, is lowered because of a competing enzymatic hydrolysis of the acyl donor. The polymers TGA, BSA, and AMPS not only scavenge the aldehyde and the acid through imine formation and neutralization, respectively, but replenish at least in part also the water consumed in the competing hydrolysis of the acyl donor. A recovery of PLE together with the polymer was achieved without major loss of activity through their immobilization on a water-saturated polyaramide membrane, which occurs spontaneously in organic solvents.