Ethyl 2-ethylpentanoate

Base Information

• Chemical Name: Ethyl 2-ethylpentanoate
• CAS No.: 43164-26-7
• Molecular Formula: C9H18O2
• Molecular Weight: 158.241
• DSSTox Substance ID: DTXSID20509484
• Mol file: 43164-26-7.mol

Synonyms:Ethyl 2-ethylpentanoate;43164-26-7;2-Ethylpentanoic Acid Ethyl Ester;2-EthylpentanoicAcidEthylEster;starbld0007338;Athyl-athylpropyl- essigsaures;SCHEMBL5679114;DTXSID20509484

Chemical Property of Ethyl 2-ethylpentanoate

Chemical Property:

• PSA: 26.30000
• LogP: 2.37580
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 158.130679813
• Heavy Atom Count: 11
• Complexity: 110

Purity/Quality:

2-EthylpentanoicAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CC)C(=O)OCC

Technology Process of Ethyl 2-ethylpentanoate

There total 12 articles about Ethyl 2-ethylpentanoate 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: 37.0%

formic acid ethyl ester (109-94-4) + hexan-1-ol (111-27-3) → 2,2-dimethyl-n-valeric acid (1185-39-3) + ethyl ester of 2-ethylpentanoic acid (43164-26-7) + ethyl α-methyl-α-ethylbutyrate (19945-14-3) + ethyl ester of 2,2-dimethylpentanoic acid (5837-93-4)

Guidance literature:

sulfuric acid; at 55 ℃; Further byproducts given;

Reference yield: 30.0%

formic acid ethyl ester (109-94-4) + hexan-1-ol (111-27-3) → 2-methyl-2-ethylbutanoic acid (19889-37-3) + 2-ethylvaleric acid (20225-24-5) + 2,2-dimethyl-n-valeric acid (1185-39-3) + ethyl ester of 2-ethylpentanoic acid (43164-26-7) + ethyl α-methyl-α-ethylbutyrate (19945-14-3) + ethyl ester of 2,2-dimethylpentanoic acid (5837-93-4)

Guidance literature:

sulfuric acid; at 55 ℃; Product distribution; var. ratio of reagents and catalyst, var. addition rate, var. temperature;

Reference yield:

ethyl-propyl-malonic acid diethyl ester (6065-62-9) → ethyl ester of 2-ethylpentanoic acid (43164-26-7)

Guidance literature:

Multi-step reaction with 3 steps

1: NaOH-solution

2: 180 °C

3: Esterifizierung

With sodium hydroxide;

upstream raw materials:

ethanol

(S)-(+)-2-ethylpentanoic acid

2-ethylvaleric acid

1-hexene

Downstream raw materials:

2-ethyl-1-pentanol