644-49-5

Usage

Uses

Used in Flavor and Fragrance Industry:
ISOBUTYRIC ACID N-PROPYL ESTER is used as a flavoring agent for its sweet, fruity taste with ripe, tropical, tutti-fruiti, and citrus melon nuances. It adds a pleasant aroma to various food products, beverages, and confectioneries.
Used in Perfumery:
ISOBUTYRIC ACID N-PROPYL ESTER is used as a fragrance ingredient in perfumes and cosmetics due to its sweet, fruity, and pineapple-like odor. It helps create a refreshing and pleasant scent in various personal care products.
Used in Aromatherapy:
ISOBUTYRIC ACID N-PROPYL ESTER can be used in aromatherapy for its pleasant and uplifting scent. It may help create a relaxing and soothing atmosphere, promoting a sense of well-being and reducing stress.
Used in Natural Product Enhancement:
ISOBUTYRIC ACID N-PROPYL ESTER can be used to enhance the natural aroma and flavor of products derived from the sources in which it is found, such as apple, olive, and honey. This can improve the overall sensory experience of these products and increase their marketability.

Preparation

From propyl alcohol and isobutyric acid in benzene solution in the presence of concentrated H2SO4.

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

Upstream product

• 71-23-8 propan-1-ol 
• 79-31-2 isobutyric Acid 
• 547-63-7 Methyl isobutyrate 
• 64-17-5 ethanol 
• 96-05-9 allyl methacrylate 
• 14878-26-3 potassium tetracarbonylcobaltate 
• 107-08-4 1-iodo-propane 

Downstream Products

• 71-23-8 propan-1-ol 
• 565-69-5 ethyl isopropyl ketone 
• 78-83-1 2-methyl-propan-1-ol 
• 123-38-6 propionaldehyde 
• 78-84-2 isobutyraldehyde 
• 565-80-0 2,4-dimethylpentan-3-one 
• 79-31-2 isobutyric Acid 
• 67-64-1 acetone 
• 2258-42-6 formyl acetic anhydride 

Relevant academic research and scientific papers

Hydrogenation of Ketones and Esters Catalyzed by Pd/C?SiO2

Hydrogenation of unsaturated ketones and esters with molecular hydrogen on the 5%Pd/C?SiO2 heterogeneous catalyst has been studied. The reaction direction and yield are determined by the starting compounds structure. Hydrogenation of unsaturated ketones containing phenyl group at the double carbon–carbon atom is accompanied by the reduction of the ketone group into the alcohol one. Hydrogenation of unsaturated esters is accompanied by transesterification.

A method for esterification reaction rate prediction of aliphatic monocarboxylic acids with primary alcohols in 1,4-dioxane based on two parametrical taft equation

Esterification reaction rates of aliphatic monocarboxylic acids with primary alcohols in 1,4-dioxane as inert solvent were investigated. Acids were esterified with 1-propanol and alcohols with acetic acid as model reactants at a constant temperature of 60°C, at a fixed ionic strength and pH in a batch reactor with a constant volume. For evaluation of reaction rates, an exact kinetic equation for the equilibrium reaction was applied. Under these conditions and for low reactants, concentrations reaction rate depends only on the structure of reactants and, therefore, can be predicted by a correlation equation with two Taft coefficients (inductive and steric effects). From these equations, it is possible to estimate the esterification reaction rate constant for other acid-alcohol pairs. This methodology may also be suitable for other kinetic systems measured under comparable experimental conditions.

Increased activity of enzymatic transacylation of acrylates through rational design of lipases

A rational design approach was used to create the mutant Candida antarctica lipase B (CALB, also known as Pseudozyma antarctica lipase B) V190A having a kcat three times higher compared to that of the wild type (wt) enzyme for the transacylation of the industrially important compound methyl methacrylate. The enzymatic contribution to the transacylation of various acrylates and corresponding saturated esters was evaluated by comparing the reaction catalysed by CALB wt with the acid (H2SO4) catalysed reaction. The performances of CALB wt and mutants were compared to two other hydrolases, Humicola insolens cutinase and Rhizomucor mihei lipase. The low reaction rates of enzyme catalysed transacylation of acrylates were found to be caused mainly by electronic effects due to the double bond present in this class of molecules. The reduction in rate of enzyme catalysed transacylation of acrylates compared to that of the saturated ester methyl propionate was however less than what could be predicted from the energetic cost of breaking the π-system of acrylates solely. The nature and concentration of the acyl acceptor was found to have a profound effect on the reaction rate.

Structure-function correlation in lipase catalysed esterification reactions of short and medium carbon chain length alcohols and acids

An attempt has been made to correlate the carbon chain lengths of acids and alcohols to the extent of esterification in the Rhizomucor miehei lipase catalyzed esterification reactions involving acids of carbon chain length C2-C5 and alcohols of carbon chain length C1-C8.

Determination of Organic Acid Structure Effect on the Equilibrium Constant of Esterification

Equilibrium constants of esterification were measured using both static and dynamic methods.Simultaneously, the measured rate constants of the organic acids esterifications with propanol and the rate constants of propylesters hydrolysis were correlated by the Taft's-equation.It was found, that the equilibrium constant of this reaction does not depend on the structure of the organic acid, and has for T = 60 deg C the value 3.96 +/- 0.08.