645-67-0

Basic information

• Product Name: Pentanoic acid, 4-oxo-, propyl ester
• Synonyms: Pentanoic acid, 4-oxo-, propyl ester;Propyl 4-oxopentanoate
• CAS NO: 645-67-0
• Molecular Formula: C₈H₁₄O₃
• Molecular Weight: 158.2
• Mol File: 645-67-0.mol
• Article Data: 34

Chemical Properties

• Boiling Point: 218°C (estimate)
• Flash Point: 88.3°C
• Appearance: /
• Density: 0.9896
• Vapor Pressure: 0.11mmHg at 25°C
• Refractive Index: 1.4258
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: Pentanoic acid, 4-oxo-, propyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Pentanoic acid, 4-oxo-, propyl ester(645-67-0)
• EPA Substance Registry System: Pentanoic acid, 4-oxo-, propyl ester(645-67-0)

Safety Data

• Hazardous Substances Data: 645-67-0(Hazardous Substances Data)

Usage

Description

Pentanoic acid, 4-oxo-, propyl ester, also known as propyl 4-oxopentanoate, is an organic compound that belongs to the class of carboxylic acid esters. It is a carboxylic acid derivative where the carboxylic group is replaced by an alkoxy group. This colorless, oily liquid is soluble in organic solvents and is primarily used in the production of chemicals for industrial processes. As a derivative of pentanoic acid, it may produce an unpleasant, pungent odor. Although it is not usually considered a particularly hazardous chemical, contact with skin or eyes may cause irritation, and inhalation or ingestion may lead to health issues.

Uses

Used in Chemical Production:
Pentanoic acid, 4-oxo-, propyl ester is used as an intermediate chemical in the synthesis of various industrial chemicals. Its role in chemical production is crucial for creating a wide range of products used across different industries.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, Pentanoic acid, 4-oxo-, propyl ester is used as a building block for the synthesis of certain drugs. Its chemical properties make it a valuable component in the development of new medications.
Used in Flavor and Fragrance Industry:
Pentanoic acid, 4-oxo-, propyl ester is used as a flavoring agent or a fragrance ingredient in the production of food and cosmetic products. Its unique scent characteristics contribute to the creation of distinct flavors and scents in these products.
Used in Research and Development:
Pentanoic acid, 4-oxo-, propyl ester is utilized in research and development settings for studying its chemical properties and potential applications. It serves as a valuable compound for scientific experiments and the exploration of new chemical reactions.

InChI:InChI=1/C8H14O3/c1-3-6-11-8(10)5-4-7(2)9/h3-6H2,1-2H3

Upstream product

• 98-00-0 (2-furyl)methyl alcohol 
• 71-23-8 propan-1-ol 
• 37112-31-5 levoglucosenone 
• 123-76-2 levulinic acid 
• 591-12-8 5-methyl-2-furanone 
• 539-88-8 4-oxopentanoic acid ethyl ester 
• 57-55-6 propylene glycol 
• 9004-34-6 cellulose 
• 492-62-6 alpha-D-glucopyranose 
• 57-50-1 Sucrose 
• 6347-01-9 fructopyranose 
• 470-23-5 D-fructose 
• 57-48-7 D-Fructose 
• 107-08-4 1-iodo-propane 

Downstream Products

• 106596-49-0 4-(2,4-dinitro-phenylhydrazono)-valeric acid propyl ester 
• 108-29-2 5-methyl-dihydro-furan-2-one 
• 615-98-5 dipropyl oxalate 
• 925-15-5 dipropyl succinate 

Relevant articles and documents

Esterification of levulinic acid over Sn(II) exchanged Keggin heteropolyacid salts: An efficient route to obtain bioaditives

In this paper, we describe a process to add value to the biomass derivatives (i.e., levulinic acid), converting it to bioadditives over solid Sn(II) exchanged Keggin heteropolyacid salts. These solid catalysts are an attractive alternative to the traditional soluble and corrosive Br?nsted acid catalysts. Among Sn(II) heteropoly salts, the Sn1.5PW12O40 was the most active and selective catalyst, achieving high conversions (ca. 90 %) and selectivity (90–97 %) for alkyl esters and angelica lactone, the main reaction products. The impacts of the main reaction parameters (i.e., catalyst load, temperature, and the molar ratio of alcohol to acid) were investigated. The use of renewable raw material, and an efficient and recyclable catalyst are the main positive features of this process. The Sn1.5PW12O40 catalyst was easily recovered and reused without loss 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.

Eco-Friendly Natural Clay: Montmorillonite Modified with Nickel or Ruthenium as an Effective Catalyst in Gamma-Valerolactone Synthesis

Ni/Ru metals supported on cheap and available support montmorillonite K10 were used for the selective hydrogenation of levulinic acid to γ-valerolactone. Different loadings of the metals were applied by the impregnation method, and detailed characterization was performed (UV–VIS, XRD, TPR, TPD, particle size distribution, SEM, XRF). Metals’ homogeneous distribution on the surface was confirmed. The selectivity to the desired product was almost independent on the used material. A detailed study of the influence of solvents on the studied reaction was also performed—protic alcohol-based solvents caused the formation of levulinic and valeric acid esters in the reaction mixture. The selectivity was influenced mainly by the alcohol structure (the highest selectivity obtained using isopropyl alcohol and sec-butanol). Mainly the solvent’s donor number (except ethanol) influenced the reaction rate. The prepared catalysts are promising, available, and cheap materials for the studied reaction. Solvent may significantly influence the yield of γ-valerolactone. Graphic Abstract: [Figure not available: see fulltext.].