tert-Butyl 2-ethylhexanoate

Base Information

Chemical Name:tert-Butyl 2-ethylhexanoate
CAS No.:71648-27-6
Molecular Formula:C12H24 O2
Molecular Weight:200.321
Hs Code.:
DSSTox Substance ID:DTXSID70992221
Nikkaji Number:J298.988C

Synonyms:tert-Butyl 2-ethylhexanoate;71648-27-6;t-Butyl 2-ethylhexanoate;EINECS 275-755-4;SCHEMBL525646;tert-Butyl 2-ethylhexanoate #;DTXSID70992221;AKOS013211247;2-Ethylhexanoic acid 1,1-dimethylethyl ester;Hexanoic acid, 2-ethyl-, 1,1-dimethylethyl ester

Suppliers and Price of tert-Butyl 2-ethylhexanoate

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 2 raw suppliers

Chemical Property of tert-Butyl 2-ethylhexanoate

Chemical Property:

Vapor Pressure:0.18mmHg at 25°C
Boiling Point:211.8°C at 760 mmHg
Flash Point:83.6°C
PSA：26.30000
Density:0.868g/cm³
LogP:3.54450
XLogP3:4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:200.177630004
Heavy Atom Count:14
Complexity:168

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC(CC)C(=O)OC(C)(C)C

Technology Process of tert-Butyl 2-ethylhexanoate

There total 4 articles about tert-Butyl 2-ethylhexanoate 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: 92.0%

: 149-57-5
2-Ethylhexanoic acid

: 83766-88-5
2-tert-butoxypyridine

: 71648-27-6
2-ethylhexanic acid tert-butyl ester

Guidance literature:: With boron trifluoride diethyl etherate; In toluene; at 20 ℃; for 0.5h;
DOI:10.1016/j.tet.2018.05.050

Reference yield:

: 132383-19-8
2-(2-ethylhexanoyloxy)-4,6-dimethoxy-1,3,5-triazine

: 75-65-0
tert-butyl alcohol

: 71648-27-6
2-ethylhexanic acid tert-butyl ester

: 63910-63-4
bis(4,6-dimethoxy-1,3,5-triazin-2-yl) ether

Guidance literature:: With magnesium bromide; at 20 ℃; for 120h;

Reference yield:

: 149-57-5
2-Ethylhexanoic acid

: 71648-27-6
2-ethylhexanic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: N-methylmorpholine / CH₂Cl₂ / 2 h / 0 - 5 °C

2: MgBr₂ / CH₂Cl₂ / 120 h / Ambient temperature

With 4-methyl-morpholine; magnesium bromide; In dichloromethane;
DOI:10.1055/s-1999-3448