2-Methylbutyl hexanoate

Base Information

• Chemical Name: 2-Methylbutyl hexanoate
• CAS No.: 2601-13-0
• Molecular Formula: C11H22O2
• Molecular Weight: 186.294
• Hs Code.: 2915900090
• European Community (EC) Number: 220-005-3
• DSSTox Substance ID: DTXSID30862996
• Nikkaji Number: J99.516I
• Wikidata: Q72488999
• Metabolomics Workbench ID: 4216
• Mol file: 2601-13-0.mol

Synonyms:2-Methylbutyl hexanoate;2-Methylbutyl caproate;2601-13-0;Hexanoic acid, 2-methylbutyl ester;Methyl 2-butyl hexanoate;EINECS 220-005-3;WE(4:0(2Me)/6:0);AI3-33716;2-Methylbutyl hexanoate #;SCHEMBL2856042;Caproic acid 2-methylbutyl ester;DTXSID30862996;CHEBI:156542;LMFA07010571;AKOS006272820;FT-0628832

Chemical Property of 2-Methylbutyl hexanoate

Chemical Property:

• Appearance/Colour: Colorless liquid
• Vapor Pressure: 0.158mmHg at 25°C
• Refractive Index: 1.425
• Boiling Point: 214.2 °C at 760 mmHg
• Flash Point: 82.9 °C
• PSA: 26.30000
• Density: 0.87 g/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-METHYLBUTYL HEXANOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)OCC(C)CC

Technology Process of 2-Methylbutyl hexanoate

There total 1 articles about 2-Methylbutyl hexanoate 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:

pentan-1-ol (71-41-0) + hexanoic acid (142-62-1) → 2-methylbutyl hexanoate (2601-13-0)

Guidance literature:

With sulfuric acid; ester of levorotatory methylethyl-methyl carbinol;

upstream raw materials:

pentan-1-ol

hexanoic acid