Ethyl valerate

Base Information

• Chemical Name: Ethyl valerate
• CAS No.: 539-82-2
• Molecular Formula: C7H14O2
• Molecular Weight: 130.187
• Hs Code.: H3(CH2)3COOC2H5 MOL WT. 130.18
• European Community (EC) Number: 208-726-1
• NSC Number: 8868
• UNII: 95R258T4P6
• DSSTox Substance ID: DTXSID6040161
• Nikkaji Number: J43.250D
• Wikipedia: Ethyl_pentanoate
• Wikidata: Q1193173
• RXCUI: 1312574
• Metabolomics Workbench ID: 48978
• ChEMBL ID: CHEMBL47483
• Mol file: 539-82-2.mol

Synonyms:ethyl valerate

Chemical Property of Ethyl valerate

Chemical Property:

• Appearance/Colour: Clear colorless liquid
• Vapor Pressure: 4.75mmHg at 25°C
• Melting Point: -92 ~ -90 °C
• Refractive Index: n20/D 1.401(lit.)
• Boiling Point: 145.9 °C at 760 mmHg
• Flash Point: 38.9 °C
• PSA: 26.30000
• Density: 0.882 g/cm³
• LogP: 1.73970
• Storage Temp.: Flammables area
• Solubility.: 2.23g/l
• Water Solubility.: 2.226g/L(temperature not stated)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 130.099379685
• Heavy Atom Count: 9
• Complexity: 79

Purity/Quality:

99% ^*data from raw suppliers

Ethyl Valerate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:
• Hazard Codes: R10:
• Statements: 10
• Safety Statements: 16

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCC(=O)OCC
• Uses: Ethyl valerate has wide applications in the areas of food, pharmaceuticals and cosmetics industries. Intermediate in perfumery.

Technology Process of Ethyl valerate

There total 92 articles about Ethyl valerate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

ethanol (64-17-5) + valeric acid (109-52-4) → ethyl n-valerate (539-82-2)

Guidance literature:

With sulfuric acid; at 100 ℃; for 3h;

Reference yield: 95.0%

valeric acid (109-52-4) → ethyl n-valerate (539-82-2)

Guidance literature:

With 0.08%-SO₃H functionalized-benzylated Al-SBA-15 nanoporous catalyst; at 79.84 ℃; for 2h;

DOI:10.1166/jnn.2019.16637

Reference yield: 86.0%

2-propyl-malonic acid monoethyl ester (2985-35-5) → ethyl n-valerate (539-82-2)

Guidance literature:

With 1H-imidazole; In neat (no solvent); at 125 ℃; for 0.0666667h; Temperature; Wavelength; Microwave irradiation;

DOI:10.1016/j.tet.2015.09.012

upstream raw materials:

ethanol

pentanonitrile

1,1-diethoxy-pent-1-ene

bis-(5-ethoxycarbonyl-valeryl)-peroxide

Downstream raw materials:

2-methylhexan-2-ol

3-ethylheptan-3-ol

3-oxo-2-propyl-heptanoic acid ethyl ester

6-butyl-6-undecanol