2050-09-1

Basic information

• Product Name: ISOPENTYL VALERATE
• Synonyms: (3-methyl-1-butyl)pentanoate;iso-Amyl N-valerate;Isopentyl pentanoate;pentanoicacid,3-methylbutylester;pentanoicacid3-methyl-butylester;Valeric acid, 3-methylbutyl ester;3-METHYLBUTYL PENTANOATE;ISOAMYL VALERATE
• CAS NO: 2050-09-1
• Molecular Formula: C₁₀H₂₀O₂
• Molecular Weight: 172.26
• EINECS: 218-081-8
• Mol File: 2050-09-1.mol
• Article Data: 4

Chemical Properties

• Melting Point: -68.47°C (estimate)
• Boiling Point: 188°C(lit.)
• Flash Point: 71.4°C
• Appearance: /
• Density: 0.862 g/mL at 20 °C(lit.)
• Vapor Pressure: 0.413mmHg at 25°C
• Refractive Index: n20/D 1.416
• CAS DataBase Reference: ISOPENTYL VALERATE(CAS DataBase Reference)
• NIST Chemistry Reference: ISOPENTYL VALERATE(2050-09-1)
• EPA Substance Registry System: ISOPENTYL VALERATE(2050-09-1)

Safety Data

• Hazard Codes: N
• Statements: 51/53
• Safety Statements: 61
• RIDADR: UN 3082 9/PG 3
• WGK Germany: 3
• Hazardous Substances Data: 2050-09-1(Hazardous Substances Data)

Usage

Chemical Properties

Clear liquid; odor of apple when diluted with alcohol.Soluble in alcohol and ether; slightly soluble in water. Combustible.

Uses

Fruit essences, flavoring agent.

InChI:InChI=1/C10H20O2/c1-4-5-6-10(11)12-8-7-9(2)3/h9H,4-8H2,1-3H3

Upstream product

• 123-51-3 i-Amyl alcohol 
• 109-52-4 valeric acid 
• 624-24-8 methyl valerate 
• 108-29-2 5-methyl-dihydro-furan-2-one 

Relevant articles and documents

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.

Transesterification of various methyl esters under mild conditions catalyzed by tetranuclear zinc cluster

(Chemical Equation Presented) A new catalytic transesterification promoted by a tetranuclear zinc cluster was developed. The mild reaction conditions enabled the reactions of various functionalized substrates to proceed in good to high yield. A large-scale reaction under solvent-free conditions proceeded with a low E-factor value (0.66), indicating the high environmental and economical advantage of the present catalysis.