2-Ethyloctanoic acid

Base Information

• Chemical Name: 2-Ethyloctanoic acid
• CAS No.: 25234-25-7
• Molecular Formula: C10H20O2
• Molecular Weight: 172.268
• Hs Code.: 2915900090
• European Community (EC) Number: 246-743-6
• UNII: 4QX9ZBD73X
• DSSTox Substance ID: DTXSID40881259
• Nikkaji Number: J236.098E
• Mol file: 25234-25-7.mol

Synonyms:2-Ethyloctanoic acid;25234-25-7;Octanoic acid, 2-ethyl-;2-ETHYLOCTANOICACID;EINECS 246-743-6;Octanoic acid,2-ethyl-;4QX9ZBD73X;SCHEMBL59955;DTXSID40881259;AKOS010363955;EN300-79755;F87677;Z756391282

Chemical Property of 2-Ethyloctanoic acid

Chemical Property:

• Vapor Pressure: 0.00178mmHg at 25°C
• Refractive Index: 1.441
• Boiling Point: 271.6 °C at 760 mmHg
• Flash Point: 142.3 °C
• PSA: 37.30000
• Density: 0.913 g/cm³
• LogP: 3.06760
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 172.146329876
• Heavy Atom Count: 12
• Complexity: 121

Purity/Quality:

98%Min ^*data from raw suppliers

2-Ethyloctanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(CC)C(=O)O

Technology Process of 2-Ethyloctanoic acid

There total 10 articles about 2-Ethyloctanoic acid 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: 43.0%

Octanoic acid (124-07-2) + ethyl iodide (75-03-6) → nonane-3-carboxylic acid (25234-25-7)

Guidance literature:

Multistep reaction.;

DOI:10.1002/jlcr.1221

Reference yield: 33.0%

non-1-ene (124-11-8) + carbon monoxide (201230-82-2) → 2-methylnonanoic acid (117214-89-8,121820-33-5,24323-21-5) + 1-decanoic acid (334-48-5) + nonane-3-carboxylic acid (25234-25-7)

Guidance literature:

With water; triphenylphosphine; palladium dichloride; In acetone; at 90 ℃; for 6h; under 9880 Torr; Product distribution; further amounts of reagents, further pressure, selectivity;

Reference yield:

nonane (111-84-2) + carbon monoxide (201230-82-2) → 2-methylnonanoic acid (117214-89-8,121820-33-5,24323-21-5) + nonane-3-carboxylic acid (25234-25-7)

Guidance literature:

With dipotassium peroxodisulfate; 2BF₄^(1-)*4B⁽³⁺⁾*4C₆H₁₂NO₃^(3-)*4Cu⁽²⁺⁾*4HO^(1-)*O^(2-); water; In acetonitrile; at 60 ℃; for 6h; under 15201 Torr;

DOI:10.1016/j.apcata.2011.05.009

upstream raw materials:

methyl α-ethylcaprylate

non-1-ene

carbon monoxide

1-hexene

Downstream raw materials:

2-Ethyl-octansaeure-amid

Refernces

• 1、 Dox. "". . p. 3009. Retrieved 1925.
• 2、 -. "Alkanoyl ester compounds and their intermediates and method of producing the same". . . Retrieved 2008/06/13.