Ethyl 2-ethylbutanoate

Base Information

• Chemical Name: Ethyl 2-ethylbutanoate
• CAS No.: 2983-38-2
• Molecular Formula: C8H16 O2
• Molecular Weight: 144.214
• Hs Code.: 2915900090
• European Community (EC) Number: 221-044-9
• UNII: 9ZB2G5FF44
• DSSTox Substance ID: DTXSID00183963
• Nikkaji Number: J150.171B
• Wikidata: Q27273417
• Metabolomics Workbench ID: 48979
• Mol file: 2983-38-2.mol

Synonyms:Ethyl 2-ethylbutanoate;2983-38-2;Ethyl 2-ethylbutyrate;2-Ethyl-n-butyric acid ethyl ester;Butanoic acid, 2-ethyl-, ethyl ester;Etzadroxil;2-Ethylbutyric Acid Ethyl Ester;2-ETHYL-N-BUTYRICACIDETHYLESTER;UNII-9ZB2G5FF44;9ZB2G5FF44;EINECS 221-044-9;AI3-24766;Ethyl2-ethylbutanoate;ethyl 2-ethyl butyrate;Ethyl 2-ethylbutanoate #;SCHEMBL284647;FEMA NO. 4344;MJGSLNIPTRPYJV-UHFFFAOYSA-;2-ethyl-butyric acid ethyl ester;DTXSID00183963;CHEBI:179937;ETHYL .ALPHA.-ETHYLBUTYRATE;CAA98338;LMFA07010854;MFCD00059396;ETHYL 2-ETHYLBUTYRATE [FHFI];AKOS009158909;HY-W127442;AS-47906;BUTYRIC ACID, 2-ETHYL-, ETHYL ESTER;CS-0185674;E0345;FT-0712203;EN300-127897;F16749;BUTYRIC ACID, .ALPHA.-ETHYL-, ETHYL ESTER;Q27273417;Z425641124;2-METHYL-1-PHENYL-1H-BENZIMIDAZOL-5-AMINEHYDROCHLORIDE

Chemical Property of Ethyl 2-ethylbutanoate

Chemical Property:

• Vapor Pressure: 2.91mmHg at 25°C
• Melting Point: 149-152°C
• Refractive Index: 1.4030 to 1.4050
• Boiling Point: 152°C
• Flash Point: 46.7°C
• PSA: 26.30000
• Density: 0.876g/cm³
• LogP: 1.98570
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 144.115029749
• Heavy Atom Count: 10
• Complexity: 95.4

Purity/Quality:

98% ^*data from raw suppliers

2-Ethyl-n-butyricacidethylester ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)C(=O)OCC

Technology Process of Ethyl 2-ethylbutanoate

There total 29 articles about Ethyl 2-ethylbutanoate 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: 98.0%

2-(ethoxycarbonyl)-2-ethylbutanoic acid (93504-83-7) → ethyl 2-ethylbutanoate (2983-38-2)

Guidance literature:

With 1H-imidazole; In neat (no solvent); at 62 ℃; for 0.0666667h; Microwave irradiation;

DOI:10.1016/j.tet.2015.09.012

Reference yield: 84.7%

ethyl 2-ethyl-3-oxobutanoate (607-97-6) → ethyl 2-ethylbutanoate (2983-38-2)

Guidance literature:

ethyl 2-ethyl-3-oxobutanoate; With sodium hydride; In N,N,N,N,N,N-hexamethylphosphoric triamide; at -5 - 20 ℃; for 1h; Inert atmosphere;

With chloromethyl methyl ether; at 20 ℃;

With ammonia; lithium; In diethyl ether; at -35 - -25 ℃; for 1h; Inert atmosphere;

Reference yield: 64.0%

ethyl α-ethyl-γ-(vinylsulfonyl)butyrate (119770-05-7) → ethyl 2-ethylbutanoate (2983-38-2)

Guidance literature:

With aluminium amalgam; In tetrahydrofuran; water; for 10h; Ambient temperature;

DOI:10.1021/jo00270a043

upstream raw materials:

2-(ethoxycarbonyl)-2-ethylbutanoic acid

ethyl acetate

sodium ethanolate

diethyl diethylmalonate

Downstream raw materials:

ethyl 2-benzoyl-2-ethylbutanoate

3,4-diethyl-3-hexanol

2-ethyl-1-butanol

2-ethyl-1,1-bis-(4-methoxy-phenyl)-but-1-ene