2-Ethylhexyl propionate

Base Information

• Chemical Name: 2-Ethylhexyl propionate
• CAS No.: 6293-37-4
• Molecular Formula: C11H22 O2
• Molecular Weight: 186.294
• European Community (EC) Number: 228-551-4
• NSC Number: 8902
• DSSTox Substance ID: DTXSID60863739
• Nikkaji Number: J206.861C
• Mol file: 6293-37-4.mol

Synonyms:2-Ethylhexyl propionate;6293-37-4;2-ethylhexyl propanoate;2-ETHYL HEXYL PROPIONATE;Propanoic acid, 2-ethylhexyl ester;EINECS 228-551-4;AI3-33699;Propanal, ethoxy-;SCHEMBL1155390;DTXSID60863739;NSC8902;Propanoic acid 2-ethylhexyl ester;NSC 8902;NSC-8902;AKOS006278790;CS-0098410;D75927

Chemical Property of 2-Ethylhexyl propionate

Chemical Property:

• Vapor Pressure: 0.158mmHg at 25°C
• Boiling Point: 214.2°C at 760 mmHg
• Flash Point: 82.9°C
• PSA: 26.30000
• Density: 0.87g/cm³
• LogP: 3.15600
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 186.161979940
• Heavy Atom Count: 13
• Complexity: 132

Purity/Quality:

99% ^*data from raw suppliers

2-EthylhexylPropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)COC(=O)CC
• Uses: 2-Ethylhexyl Propanoate is a useful compound to study the oxidative degradation of synthetic ester. It can also be utilized for the synthesis of perfumes.

Technology Process of 2-Ethylhexyl propionate

There total 3 articles about 2-Ethylhexyl propionate 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: 95.0%

2-Ethylhexyl acrylate (103-11-7) → 2-ethylhexyl propionate (6293-37-4)

Guidance literature:

With o-phenylenebis(diphenylphosphine); copper diacetate; poly(methylhydrosiloxane); In toluene; tert-butyl alcohol; at 20 ℃; for 2h;

DOI:10.1021/ol702689v

Reference yield: 53.0%

2-Ethylhexyl acrylate (103-11-7) → 2-ethylhexyl propionate (6293-37-4) + 4-oxo-heptanedioic acid bis-(2-ethyl-hexyl ester) (81733-97-3)

Guidance literature:

With carbon monoxide; isopropyl alcohol; dodecacarbonyltetrarhodium⁽⁰⁾; at 180 ℃; for 6h; Pressure (range begins): 75 ;

DOI:10.1246/cl.1982.361

Reference yield: 14.0%

2-Ethylhexyl acrylate (103-11-7) + carbon monoxide (201230-82-2) → 2-ethylhexyl propionate (6293-37-4) + 4-oxo-heptanedioic acid bis-(2-ethyl-hexyl ester) (81733-97-3)

Guidance literature:

With isopropyl alcohol; dodecacarbonyltetrarhodium⁽⁰⁾; at 180 ℃; for 6h; Pressure (range begins): 75 ;

DOI:10.1246/cl.1982.361

upstream raw materials:

2-Ethylhexyl acrylate

carbon monoxide

Refernces

• 1、 Baker, Benjamin A.,Boskovic, Zarko V.,Lipshutz, Bruce H.. "(BDP)CuH: A "hot" Stryker's reagent for use in achiral conjugate reductions". . p. 289 - 292. Retrieved 2008/09/19.