21884-26-4

Basic information

• Product Name: isopropyl 4-oxovalerate
• Synonyms: isopropyl 4-oxovalerate;Pentanoic acid, 4-oxo-, 1-methylethyl ester;ISO-PROPYL-4-OXOPENTANOATE;4-Oxopentanoic acid isopropyl ester;Levulinic acid isopropyl ester;Ai3-31914;Einecs 244-630-6;propan-2-yl 4-oxopentanoate (Pentanoic acid, 4-oxo-,1-methylethyl
• CAS NO: 21884-26-4
• Molecular Formula: C₈H₁₄O₃
• Molecular Weight: 158.19496
• EINECS: 244-630-6
• Mol File: 21884-26-4.mol
• Article Data: 67

Chemical Properties

• Boiling Point: 209.3°C (estimate)
• Flash Point: 84.4°C
• Appearance: /
• Density: 0.9842
• Vapor Pressure: 0.204mmHg at 25°C
• Refractive Index: 1.4420
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: isopropyl 4-oxovalerate(CAS DataBase Reference)
• NIST Chemistry Reference: isopropyl 4-oxovalerate(21884-26-4)
• EPA Substance Registry System: isopropyl 4-oxovalerate(21884-26-4)

Safety Data

• Hazardous Substances Data: 21884-26-4(Hazardous Substances Data)

Usage

General Description

Isopropyl 4-oxovalerate, also known as 3-methylbutanoic acid or isovaleric acid, is a liquid isomer of pentanoic acid. It is often used in the production of certain types of plastic and as an intermediate in the production of pharmaceuticals. It has a strong, pungent odor and is naturally found in a variety of fruits, including raspberries and strawberries. In addition to this, it is also produced by certain types of bacteria. The chemical formula of isopropyl 4-oxovalerate is C8H14O3 and it presents a potential environmental hazard as it is potentially harmful to aquatic life.

InChI:InChI=1/C8H14O3/c1-6(2)11-8(10)5-4-7(3)9/h6H,4-5H2,1-3H3

Upstream product

• 98-00-0 (2-furyl)methyl alcohol 
• 67-63-0 isopropyl alcohol 
• 123-76-2 levulinic acid 
• 57-50-1 Sucrose 
• 37112-31-5 levoglucosenone 
• 591-12-8 5-methyl-2-furanone 
• 539-88-8 4-oxopentanoic acid ethyl ester 
• 6347-01-9 fructopyranose 
• 50-99-7 glucose 
• 3128-06-1 5-ketohexanoic acid 
• 57-48-7 D-Fructose 
• 9004-34-6 cellulose 
• 98-01-1 furfural 
• 6270-56-0 2-(ethoxymethyl)furan 

Downstream Products

• 58917-25-2 (R)-5-methyl-2-oxotetrahydrofuran 
• 19041-15-7 (S)-γ-valerolactone 
• 108-29-2 5-methyl-dihydro-furan-2-one 
• 108-29-2 γ-valerolactone 
• 102025-19-4 (2-methyl-5-phenyl-indol-3-yl)-acetic acid amide 
• 6306-05-4 (2-methyl-5-phenyl-indol-3-yl)-acetic acid 
• 52786-03-5 4,4-Bis-(3-tert-butyl-4-hydroxy-phenyl)-pentanoic acid isopropyl ester 
• 108984-97-0 (2-methyl-5-phenyl-indol-3-yl)-acetic acid isopropyl ester 

Relevant articles and documents

Conformal sulfated zirconia monolayer catalysts for the one-pot synthesis of ethyl levulinate from glucose

Here we describe a simple route to creating conformal sulphated zirconia monolayers throughout an SBA-15 architecture that confers efficient acid-catalysed one-pot conversion of glucose to ethyl levulinate.

Porous iron-phosphonate nanomaterial as an efficient catalyst for the CO2 fixation at atmospheric pressure and esterification of biomass-derived levulinic acid

Chemical fixation of CO2 and synthesis of biofuels through convenient reaction pathways are very demanding in the context of sustainable and eco-friendly catalysis. Herein, we report the synthesis of iron-phosphonate nanoparticles HPFP-1(NP) through the simple chemical reaction between hexamethylenediamine-N,N,N′,N′-tetrakis-(methylphosphonic acid) and FeCl3 under hydrothermal conditions. The material has been characterized by transmission electron microscopy (TEM), powder X-ray diffraction (PXRD), N2 adsorption/desorption studies and FE-SEM. This porous material showed high catalytic activity for the synthesis of organic carbonates from a wide range of epoxides at room temperature in the presence of CO2 at atmospheric pressure. This nanocatalyst also exhibited excellent catalytic activity for the conversion of levulinic acid into alkyl levulinates. The HPFP-1(NP) catalyst showed high recycling efficiency in these catalytic reactions.

Efficient Conversion of Biomass-Derived Levulinic Acid to γ-Valerolactone over Polyoxometalate@Zr-Based Metal-Organic Frameworks: The Synergistic Effect of Bro?nsted and Lewis Acidic Sites

Catalytic transformation of levulinic acid (LA) to γ-valerolactone (γ-GVL) is an important route for biomass upgradation. Because both Bro?nsted and Lewis acidic sites are required in the cascade reaction, herein we fabricate a series of H3PW12O40@Zr-based metal-organic framework (HPW@MOF-808) by a facile impregnation method. The synthesized HPW@MOF-808 is active for the conversion of LA to γ-GVL using isopropanol as a hydrogen donor. Interestingly, with the increase in the HPW loading amount, the yield of γ-GVL increases first and then decreases, and 14%-HPW@MOF-808 gave the highest γ-GVL yield (86%). The excellent catalytic performance was ascribed to the synergistic effect between the accessible Lewis acidic Zr4+ sites in MOF-808 and Bro?nsted acidic HPW sites. Based on the experimental results, a plausible reaction mechanism was proposed: the Zr4+ sites catalyze the transfer hydrogenation of carbonyl groups and the HPW clusters promote the esterification of LA with isopropanol and lactonization to afford γ-GVL. Moreover, HPW@MOF-808 is resistant to leaching and can be reused for five cycles without significant loss of its catalytic activity.

Efficient alcoholysis of furfuryl alcohol to n-butyl levulinate catalyzed by 5-sulfosalicylic acid

It is urgent to study the utilization of biomass energy to solve the environmental problems caused by the excessive use of fossil fuels. In this study, a rapid and efficient route for the conversion of furfuryl alcohol (FA) into n-butyl levulinate (BL) has been catalyzed by 5-sulfosalicylic acid. The nearly complete conversion of FA and a considerable 99.7% selectivity of BL are obtained under the optimal conditions. Based on the experimental results, a possible mechanism for the alcoholysis of FA is proposed. The present study provided a promising way for alkyl levulinates synthesis over economical and environmentally benign catalysts.