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644-49-5

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644-49-5 Usage

Chemical Properties

Propyl isobutyrate has a pineapple-like odor and a corresponding sweet flavor.

Occurrence

Reported found in several natural products including apple, olive, spineless monkey orange, Gruyere de Comte cheese, honey, hop oil, olives and Roman chamomile oil.

Preparation

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

Aroma threshold values

Detection: 0.086 to 0.43 ppb

Taste threshold values

Taste characteristics at 5 to 15 ppm: sweet, fruity, with ripe, tropical, tutti-fruiti and citrus melon nuances.

Check Digit Verification of cas no

The CAS Registry Mumber 644-49-5 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,4 and 4 respectively; the second part has 2 digits, 4 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 644-49:
(5*6)+(4*4)+(3*4)+(2*4)+(1*9)=75
75 % 10 = 5
So 644-49-5 is a valid CAS Registry Number.
InChI:InChI=1/C7H14O2/c1-4-5-9-7(8)6(2)3/h6H,4-5H2,1-3H3

644-49-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name Isobutyric Acid N-Propyl Ester

1.2 Other means of identification

Product number -
Other names propyl 2-methylpropanoate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:644-49-5 SDS

644-49-5Relevant articles and documents

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

Akchurin,Baibulatov,Dokichev

, p. 195 - 198 (2018/03/26)

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.

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

Syren, Per-Olof,Lindgren, Ebba,Hoeffken, Hans Wolfgang,Branneby, Cecilia,Maurer, Steffen,Hauer, Bernhard,Hult, Karl

experimental part, p. 3 - 10 (2011/02/22)

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.

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

Vojtko, J.

, p. 1227 - 1235 (2007/10/02)

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.

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