2-Ethylhexyl cyclopentanecarboxylate

Base Information

• Chemical Name: 2-Ethylhexyl cyclopentanecarboxylate
• CAS No.: 94231-47-7
• Molecular Formula: C14H26 O2
• Molecular Weight: 226.359
• European Community (EC) Number: 303-865-5
• DSSTox Substance ID: DTXSID10916022
• Nikkaji Number: J382.567A
• Mol file: 94231-47-7.mol

Synonyms:2-Ethylhexyl cyclopentanecarboxylate;94231-47-7;EINECS 303-865-5;Cyclopentanecarboxylic acid, 2-ethylhexyl ester;SCHEMBL9000874;DTXSID10916022;2-Ethylhexyl cyclopentanecarboxylate #;Cyclopentanecarboxylic acid 2-ethylhexyl ester;cyclopentanecarboxylic acid 2-ethyl-hexyl ester

Chemical Property of 2-Ethylhexyl cyclopentanecarboxylate

Chemical Property:

• Vapor Pressure: 0.00685mmHg at 25°C
• Boiling Point: 270.4°Cat760mmHg
• Flash Point: 121.7°C
• PSA: 26.30000
• Density: 0.934g/cm³
• LogP: 3.93620
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 226.193280068
• Heavy Atom Count: 16
• Complexity: 195

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)COC(=O)C1CCCC1

Technology Process of 2-Ethylhexyl cyclopentanecarboxylate

There total 2 articles about 2-Ethylhexyl cyclopentanecarboxylate 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: 65.0%

2-Ethylhexyl alcohol (104-76-7) + cyclopentanecarboxylic acid (3400-45-1) → 2-ethylhexanol cyclopentanecarboxylate (94231-47-7)

Guidance literature:

With 1-methyl-3-(4-sulfobutyl)-1H-imidazol-3-ium hydrogensulfate; In toluene; Reflux;

Reference yield:

cyclopentanecarboxylic acid (3400-45-1) → 2-ethylhexanol cyclopentanecarboxylate (94231-47-7)

Guidance literature:

With toluene-4-sulfonic acid;

upstream raw materials:

cyclopentanecarboxylic acid

2-Ethylhexyl alcohol

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