2-Ethylhexyl isobutyrate

Base Information

• Chemical Name: 2-Ethylhexyl isobutyrate
• CAS No.: 35061-61-1
• Molecular Formula: C12H24 O2
• Molecular Weight: 200.321
• European Community (EC) Number: 252-341-1
• UNII: W41ITH657B
• DSSTox Substance ID: DTXSID30956506
• Nikkaji Number: J289.891H
• Wikidata: Q27292270
• Mol file: 35061-61-1.mol

Synonyms:2-Ethylhexyl isobutyrate;35061-61-1;2-Ethylhexyl 2-methylpropanoate;Propanoic acid, 2-methyl-, 2-ethylhexyl ester;UNII-W41ITH657B;W41ITH657B;EINECS 252-341-1;AI3-21637;Isobutyric acid, 2-ethylhexyl ester;2 - ethylhexyl isobutyrate;SCHEMBL245036;DTXSID30956506;Isobutyric acid 2-ethylhexyl ester;2-Ethylhexyl 2-methylpropanoate #;Q27292270

Chemical Property of 2-Ethylhexyl isobutyrate

Chemical Property:

• Vapor Pressure: 0.104mmHg at 25°C
• Melting Point: -56°C (estimate)
• Refractive Index: 1.3947 (estimate)
• Boiling Point: 222°Cat760mmHg
• Flash Point: 91.8°C
• PSA: 26.30000
• Density: 0.867g/cm³
• LogP: 3.40200
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 200.177630004
• Heavy Atom Count: 14
• Complexity: 152

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)C(C)C

Technology Process of 2-Ethylhexyl isobutyrate

There total 1 articles about 2-Ethylhexyl isobutyrate 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: 78.0%

2-ethylhexyl metacrylate (688-84-6) → 2-ethylhexyl isobutyrate (35061-61-1)

Guidance literature:

With samarium(II) iodide tetrahydrofuran; N,N-dimethyl acetamide; tert-butyl alcohol; In tetrahydrofuran; for 0.25h; Ambient temperature;

DOI:10.1246/cl.1991.2117

upstream raw materials:

2-ethylhexyl metacrylate

Refernces