105-66-8

Basic information

• Product Name: Butanoic acid, propylester
• Synonyms: Butyricacid, propyl ester (6CI,7CI,8CI);Propyl butanoate;Propyl butyrate;Propyln-butyrate;n-Propanol butyrate;n-Propyl butanoate
• CAS NO: 105-66-8
• Molecular Formula: C₇H₁₄O₂
• Molecular Weight: 129.1775
• EINECS: 203-302-0
• Mol File: 105-66-8.mol
• Article Data: 22

Chemical Properties

• Melting Point: -95.2 °C
• Boiling Point: 142.999 °C at 760 mmHg
• Flash Point: 38.889 °C
• Appearance: Clear colorless liquid
• Density: 0.882 g/cm³
• Vapor Pressure: 0.082mmHg at 25°C
• CAS DataBase Reference: Butanoic acid, propylester(CAS DataBase Reference)
• NIST Chemistry Reference: Butanoic acid, propylester(105-66-8)
• EPA Substance Registry System: Butanoic acid, propylester(105-66-8)

Safety Data

• Hazard Codes: Xi:Irritant
• Statements: R10:; R36/37/38:
• Safety Statements: S16:; S26:; S36:
• Hazardous Substances Data: 105-66-8(Hazardous Substances Data)

Usage

General Description

Butanoic acid, propylester, also known as propyl butanoate or propyl butyrate, is a chemical compound that belongs to the ester class. It is commonly used as a flavor and fragrance ingredient in various consumer products, including perfumes, soaps, and lotions. It is also used as a solvent in the manufacturing process of certain industrial products. Butanoic acid, propylester has a fruity odor and is often used as a food additive to enhance the flavor of fruit and dessert products. Additionally, it is found in natural sources such as apples, raspberries, and other fruits, contributing to their fruity aroma and taste. Safety assessments have concluded that it is safe for use in food and consumer products when utilized within recommended guidelines.

InChI:InChI=1/C7H14O2/c1-3-5-6(4-2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)/p-1

Upstream product

• 71-23-8 propan-1-ol 
• 141-75-3 butyryl chloride 
• 7553-56-2 iodine 
• 98-95-3 nitrobenzene 
• 107-92-6 butyric acid 
• 7664-39-3 hydrogen fluoride 
• 7664-93-9 sulfuric acid 
• 119-61-9 benzophenone 
• 13122-71-9 peroxybutyric acid 
• 123-19-3 4-heptanone 
• 55208-76-9 3,3,6,6-tetra-n-propyl-1,2,4,5-tetraoxacyclohexane 
• 123-20-6 vinyl n-butyrate 
• 106-31-0 butanoic acid anhydride 
• 112-30-1 1-Decanol 

Downstream Products

• 107-10-8 propylamine 
• 102-69-2 tri-n-propylamine 
• 109-74-0 propyl cyanide 
• 142-84-7 di-n-propylamine 
• 541-35-5 butanamide 
• 71-23-8 propan-1-ol 
• 107-92-6 butyric acid 
• 96-22-0 pentan-3-one 
• 105-54-4 butanoic acid ethyl ester 
• 123-19-3 4-heptanone 
• 589-38-8 n-hexan-3-one 
• 123-38-6 propionaldehyde 
• 71-36-3 butan-1-ol 
• 106-31-0 butanoic acid anhydride 

Relevant articles and documents

Mono, di and trifunctional cyclic organic peroxides: The effect of substituents and ring size on their thermolysis in 1,4-dioxan

The thermal decomposition reaction of cyclic organic peroxides was studied in 1,4-dioxan at initial concentrations between ～10-4 and 10-2molL-1 and at a temperature interval between 100 and 170°C, according to the thermal stability of each compound. The kinetic behaviour observed in all systems studied follows a pseudo first order kinetic law up to at least ～86% of peroxide conversion. An important substituent effect is operative on the rate constant values and consequently on the activation parameters of the thermal decomposition reaction. The application of different treatments (compensation affect or a statistical treatment) on the kinetic data shows the existence of two sets of cyclic peroxides with comparable kinetic behaviour. Different peroxide-solvent interaction mechanisms can be considered within each series.

Propanolysis of esters using chlorotrimethylsilane

A variety of methyl esters are converted into the corresponding propyl esters upon treatment with 1-propanol and chlorotrimethylsilane. Among them acyclic aliphatic esters have the best conversion rate.

Epoxidation and Baeyer-Villiger oxidation using hydrogen peroxide and a lipase dissolved in ionic liquids

Epoxidation and Baeyer-Villiger oxidation of olefins and (cyclic) ketones were successfully carried out in hydrogen-bond-donating (HBD) ionic liquids, using a lipase-catalysed cascade and hydrogen peroxide as the terminal oxidant. The effect of the ionic liquids turned out to be twofold. The HBD ionic liquids exhibited a substantial positive solvent effect on the second step of the cascade, namely the oxygen transfer by peracid. In addition, we found that the Candida antarctica B lipase (CaLB) dissolved in 1-(3-hydroxypropyl)-3-methyl imidazolium nitrate 1a and 1-butyl-3-methylimidazolium nitrate 2a. This stable enzyme-ionic liquid solution opens the possibility for continuous chemical processing.

The combine use of ultrasound and lipase immobilized on co-polymer matrix for efficient biocatalytic application studies

In this work, we have investigated the combine use of ultrasound and lipase (Pseudomonas cepacia: PCL) immobilized on co-polymer of polyvinyl alcohol (PVA) and chitosan (CHI) for biocatalytic applications. Initially, we have screened different free and immobilized biocatalysts to find-out the robust biocatalyst. The immobilized biocatalyst PVA:CHI:PCL (5:5:2.5) worked as a robust biocatalyst to provide superior conversion (99%) for the synthesis of model ultrasound assisted reaction. Subsequently, various reaction parameters were optimized in details to obtain the higher yield. Besides this, developed biocatalytic protocol was used to synthesize various industrially important butyrate compounds which provided excellent conversion of 99% under ultrasonic conditions. The developed biocatalyst showed excellent recyclability upto studied five cycles under ultrasonic condition. The immobilized PVA:CHI:PCL biocatalyst displayed 2.4 folds higher activity as compared to free lipases in ultrasonic condition. Moreover, PVA:CHI:PCL biocatalyst in ultrasound media showed 4.5 folds higher activity as compared to free lipases in conventional media. The energy assessment was performed which demonstrated feasibility of combine use of immobilization and ultrasonication to carry out efficient biocatalytic process.

Ultrasound technology and molecular sieves improve the thermodynamically controlled esterification of butyric acid mediated by immobilized lipase from Rhizomucor miehei

In this research, the effects of ultrasound stirring and the addition of molecular sieves on esterification reactions between butyric acid and several alcohols catalyzed by immobilized lipase from Rhizomucor miehei (Lipozyme RM-IM) were studied. Among the tested alcohols, 1-propanol and isobutanol allowed the highest activities, whereas Lipozyme RM-IM showed poor activities for esterification using secondary and tertiary alcohols. Different solvents were also tested and n-hexane was selected because of its reaction effects, besides being cheaper, available at low boiling point, and ease of recovery. Using the preselected alcohol and solvent, other reaction parameters (butyric acid concentration, temperature, substrate molar rate, and biocatalyst content) were studied to optimize the reaction conditions. Optimal conditions were acid concentration, 0.7 M; substrate molar ratio, 11 alcohol-acid; temperature 45 °C; biocatalyst content, 14% (by substrate mass). Under these conditions, it was possible to obtain a yield of 86% of butyl butyrate in 2.5 h. When molecular sieves (90 mg mmol-1 butytic acid) were added to the reaction, the observed yield increased to 96%. The biocatalyst was used in 5 successive reaction cycles keeping 100% of its initial activity. The overall process productivity was improved 2-fold when compared to the traditional mechanical agitation, showing that ultrasound is a promising technology for application in biocatalysis. The Royal Society of Chemistry.