10352-87-1

Basic information

• Product Name: PROPYL-CROTONATE
• Synonyms: 2-Butenoic acid, propyl ester;Crotonic acid, propyl ester;Propyl (2E)-2-butenoate;Propyl 2-butenoate;PROPYL-CROTONATE;(E)-2-Butenoic acid propyl ester
• CAS NO: 10352-87-1
• Molecular Formula: C₇H₁₂O₂
• Molecular Weight: 128.17
• EINECS: 233-768-2
• Mol File: 10352-87-1.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 149.3°C at 760 mmHg
• Flash Point: 45.4°C
• Appearance: /
• Density: 0.907g/cm³
• Vapor Pressure: 4.06mmHg at 25°C
• Refractive Index: 1.427
• CAS DataBase Reference: PROPYL-CROTONATE(CAS DataBase Reference)
• NIST Chemistry Reference: PROPYL-CROTONATE(10352-87-1)
• EPA Substance Registry System: PROPYL-CROTONATE(10352-87-1)

Safety Data

• Hazardous Substances Data: 10352-87-1(Hazardous Substances Data)

Usage

General Description

Propyl crotonate is a chemical compound commonly used as a flavoring agent in food and beverage products. It is a colorless liquid with a fruity, pineapple-like odor, and is often added to foods, drinks, and fragrances to impart a sweet and tropical aroma and taste. Propyl crotonate is also used in the production of perfumes and as a solvent in the manufacture of various products. It is generally considered safe for consumption in small quantities and is regulated by food safety authorities to ensure its proper use in food and beverage applications.

InChI:InChI=1/C7H12O2/c1-3-5-7(8)9-6-4-2/h3,5H,4,6H2,1-2H3/b5-3-

Upstream product

• 71-23-8 propan-1-ol 
• 3724-65-0 2-butenoic acid 
• 623-43-8 methyl crotonate 
• 123-73-9 crotonaldehyde 

Downstream Products

• 1343491-73-5 C₂₁H₁₇ClF₃NO₇ 

Relevant articles and documents

Manganese phthalocyanine immobilized on silica gel: Efficient and recyclable catalyst for single-step oxidative esterification of aldehydes with alcohols

The functionalization of silica gel was carried out using 3-aminopropyltriethoxysilane as a reactive surface modifier followed by covalent grafting of novel tetrakis-(2-methoxy-4-formylphenoxy)phthalocyaninato manganese(III) acetate complex. The resulting inorganic-organic hybrid material was found to be a highly selective and recyclable catalyst for the single-step synthesis of esters. The catalyst was characterized by elemental analysis (CHN), diffuse reflectance UV-visible, 13C CPMAS and 29Si CPMAS NMR spectroscopy, X-ray diffraction (XRD), scanning electron microscopy (SEM), BET surface area analysis, energy dispersive X-ray fluorescence (ED-XRF), Fourier-transform infrared (FT-IR) and atomic absorption spectroscopy (AAS) techniques, which demonstrates the covalent grafting of the complex onto functionalized silica gel. The catalytic performance of the novel inorganic-organic hybrid catalyst was evaluated in the direct oxidative esterification of aldehydes with alcohols, at ambient temperature, using hydrogen peroxide as an environment friendly oxidant. The hybrid catalyst presented up to 100% of substrate conversion with high turn-over numbers (TONs), up to 100% of selectivity toward the ester product, and can be recovered and reused for multiple cycles without appreciable loss in its catalytic activity.

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.

ESTERIFICATION AT ROOM TEMPERATURE: A MIXING AFFAIR ONLY

Carboxylic acids in absolute alcohols, on treatment with thionyl chloride at room temperature give good yields of corresponding esters.