2-Ethylhexyl 2-methylbutyrate

Base Information

• Chemical Name: 2-Ethylhexyl 2-methylbutyrate
• CAS No.: 94200-09-6
• Molecular Formula: C13H26 O2
• Molecular Weight: 214.348
• European Community (EC) Number: 303-486-5
• DSSTox Substance ID: DTXSID90916186
• Nikkaji Number: J319.075G
• Mol file: 94200-09-6.mol

Synonyms:2-Ethylhexyl 2-methylbutyrate;94200-09-6;EINECS 303-486-5;2-ethylhexyl 2-methylbutanoate;SCHEMBL1108109;DTXSID90916186;2-Methylbutyric acid 2-ethylhexyl ester

Chemical Property of 2-Ethylhexyl 2-methylbutyrate

Chemical Property:

• Vapor Pressure: 0.0401mmHg at 25°C
• Boiling Point: 239.5°Cat760mmHg
• Flash Point: 104°C
• PSA: 26.30000
• Density: 0.866g/cm³
• LogP: 3.79210
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 214.193280068
• Heavy Atom Count: 15
• Complexity: 166

Purity/Quality:

98%Min ^*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)CC

Technology Process of 2-Ethylhexyl 2-methylbutyrate

There total 1 articles about 2-Ethylhexyl 2-methylbutyrate 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:

2-Ethylhexyl alcohol (104-76-7) + (R)-2-methylbutyric acid (32231-50-8) → (2-ethyl-hexyl ester) of/the/ (-)(R)-methylethylacetic acid (94200-09-6)

Guidance literature:

With sulfuric acid; benzene; ein Gemisch von Diastereoisomeren entsteht;

DOI:10.1021/ja01852a051

upstream raw materials:

2-Ethylhexyl alcohol

(R)-2-methylbutyric acid