Ethyl 2,2-dimethyloctanoate

Base Information

Chemical Name:Ethyl 2,2-dimethyloctanoate
CAS No.:59415-01-9
Molecular Formula:C12H24 O2
Molecular Weight:200.321
Hs Code.:
European Community (EC) Number:261-754-6,304-248-3
DSSTox Substance ID:DTXSID50915913
Nikkaji Number:J298.154H
Wikidata:Q82886999
Mol file:59415-01-9.mol

Synonyms:Ethyl 2,2-dimethyloctanoate;59415-01-9;EINECS 261-754-6;94247-78-6;Ethyl dimethyloctanoate;EINECS 304-248-3;Octanoic acid,2,2-dimethyl-, ethyl ester;Octanoic acid, 2,2-dimethyl-, ethyl ester;SCHEMBL2720899;DTXSID50915913;2,2-Dimethyloctanoic acid ethyl ester;2,2-dimethyl-octanoic acid ethyl ester;Octanoic acid,2,2-dimethyl-,ethyl ester

Suppliers and Price of Ethyl 2,2-dimethyloctanoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 8 raw suppliers

Chemical Property of Ethyl 2,2-dimethyloctanoate

Chemical Property:

Vapor Pressure:0.108mmHg at 25°C
Boiling Point:221.3°C at 760 mmHg
Flash Point:88.4°C
PSA：26.30000
Density:0.87g/cm³
LogP:3.54610
XLogP3:4.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:200.177630004
Heavy Atom Count:14
Complexity:162

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCC(C)(C)C(=O)OCC

Technology Process of Ethyl 2,2-dimethyloctanoate

There total 3 articles about Ethyl 2,2-dimethyloctanoate 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: 87.0%

: 638-45-9
1-Iodohexane

: 97-62-1
Ethyl isobutyrate

: 59415-01-9
ethyl 2,2-dimethyloctanoate

Guidance literature:: Ethyl isobutyrate; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 0.5h;

1-Iodohexane; In tetrahydrofuran; at -78 ℃; for 5h;

Reference yield:

: 111-25-1
1-bromo-hexane

: 97-62-1
Ethyl isobutyrate

: 59415-01-9
ethyl 2,2-dimethyloctanoate

Guidance literature:: With lithium diisopropyl amide; Yield given. Multistep reaction; 1.) THF, ethylbenzene, heptane, -45 deg C, 45 min, 2.) THF, ethylbenzene, heptane, from -60 deg C to RT, 3.5 h;
DOI:10.1021/jm970212f