591-68-4

Basic information

• Product Name: n-Butyl valerate
• Synonyms: Valericacid, butyl ester (6CI,7CI,8CI);Butyl pentanoate;Butyl valerate;n-Butylpentanoate;n-Butyl valerate
• CAS NO: 591-68-4
• Molecular Formula: C9H18O2
• Molecular Weight: 158.238
• EINECS: 209-728-5
• Mol File: 591-68-4.mol
• Article Data: 29

Chemical Properties

• Boiling Point: 188.1 °C at 760 mmHg
• Flash Point: 64.7 °C
• Appearance: liquid with an apple-raspberry odour
• Density: 0.876 g/cm³
• Vapor Pressure: 0.608mmHg at 25°C
• Refractive Index: 1.418
• CAS DataBase Reference: n-Butyl valerate(CAS DataBase Reference)
• NIST Chemistry Reference: n-Butyl valerate(591-68-4)
• EPA Substance Registry System: n-Butyl valerate(591-68-4)

Safety Data

• Hazardous Substances Data: 591-68-4(Hazardous Substances Data)

Usage

General Description

n-Butyl valerate, also known as butyl pentanoate, is a chemical compound with the formula C9H18O2. As an ester, it is produced by the condensation of butyl alcohol and valeric acid. It's commonly used as a food flavoring agent as well as in the production of various chemicals. n-Butyl valerate is a colorless to pale yellow liquid that has a fruity aroma similar to apples or pineapples. According to safety data, it may cause skin and eye irritation, but it's generally considered non-hazardous in small quantities.

InChI:InChI=1/C9H18O2/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3

Upstream product

• 638-29-9 n-valeryl chloride 
• 71-36-3 butan-1-ol 
• 109-65-9 1-bromo-butane 
• 16179-36-5 2-Hydroxyethyl pentanoate 
• 109-52-4 valeric acid 
• 19455-21-1 valerianate de potassium 
• 110-62-3 pentanal 
• 108-29-2 5-methyl-dihydro-furan-2-one 
• 123-76-2 levulinic acid 
• 107-92-6 butyric acid 
• 1540-36-9 3-butylpentane-2,4-dione 
• 201230-82-2 carbon monoxide 
• 542-69-8 1-iodo-butane 
• 141-32-2 acrylic acid n-butyl ester 

Relevant articles and documents

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.].

Sol-gel immobilisation of lipases: Towards active and stable biocatalysts for the esterification of valeric acid

Alkyl esters are high added value products useful in a wide range of industrial sectors. A methodology based on a simple sol-gel approach (biosilicification) is herein proposed to encapsulate enzymes in order to design highly active and stable biocatalysts. Their performance was assessed through the optimization of valeric acid esterification evaluating the effect of different parameters (biocatalyst load, presence of water, reaction temperature and stirring rate) in different alcoholic media, and comparing two different methodologies: conventional heating and microwave irradiation. Ethyl valerate yields were in the 80–85% range under optimum conditions (15 min, 12% m/v biocatalyst, molar ratio 1:2 of valeric acid to alcohol). Comparatively, the biocatalysts were slightly deactivated under microwave irradiation due to enzyme denaturalisation. Biocatalyst reuse was attempted to prove that good reusability of these sol-gel immobilised enzymes could be achieved under conventional heating.

Highly efficient transformation of Γ-valerolactone to valerate esters over structure-controlled copper/zirconia catalysts prepared via a reduction-oxidation route

Design and development of novel and efficient catalysts are crucial but challenging for the catalytic conversion of biomass and derivatives to fuels and chemicals. In this paper, a novel separate nucleation and aging steps assistant reduction-oxidation strategy was developed to synthesis CuO/ZrO2 complex precursor with homogeneously distributed Cu and Zr components, which can be used as an ideal precursor for the synthesis of highly dispersed Cu/ZrO2 catalyst. Characterization results revealed that homogeneous dispersion of CuO, high surface area of ZrO2 support with controlled porous structure, and strong interaction between CuO and ZrO2 in CuO/ZrO2 precursor could lead to the enhanced Cu dispersion and the formation of Cu+ active centers. The synthesized Cu/ZrO2 catalysts exhibited excellent catalytic performance (85.4% conversion of GVL and 98.0% selectivity of pentyl valerate) in the catalytic transformation of GVL to valerate esters, more efficient than that of Cu/ZrO2-CP and Cu/ZrO2-CH catalysts prepared via co-precipitation and chemisorption hydrolysis methods, respectively. The superior catalytic performance was mainly attributed to both the cooperation of Cu0 and Cu+ species and the highly dispersed surface Cu0, thereby improving the adsorption and polarization of C[dbnd]O bond in GVL and the following dissociation of H2 to produce active hydrogen for the hydrogenation step during the catalytic transformation of GVL. Moreover, such copper-based catalysts exhibited potential applications in the exploitation and utilization of biomass resources with significantly enhanced efficiency.