Pentyl cyclohexanecarboxylate

Base Information

Chemical Name:Pentyl cyclohexanecarboxylate
CAS No.:6553-83-9
Molecular Formula:C12H22O2
Molecular Weight:198.305
Hs Code.:2916209090
European Community (EC) Number:229-478-0
DSSTox Substance ID:DTXSID70215826
Nikkaji Number:J225.187F
Mol file:6553-83-9.mol

Synonyms:Pentyl cyclohexanecarboxylate;6553-83-9;EINECS 229-478-0;Cyclohexanecarboxylic acid pentyl ester;Cyclohexanecarboxylic acid, pentyl ester;AI3-33531;Pentyl cyclohexanecarboxylate #;SCHEMBL2249573;DTXSID70215826

Suppliers and Price of Pentyl cyclohexanecarboxylate

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 5 raw suppliers

Chemical Property of Pentyl cyclohexanecarboxylate

Chemical Property:

Vapor Pressure:0.0237mmHg at 25°C
Boiling Point:248.9°C at 760 mmHg
Flash Point:96°C
PSA：26.30000
Density:0.943g/cm³
LogP:3.30010
XLogP3:4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:198.161979940
Heavy Atom Count:14
Complexity:160

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCOC(=O)C1CCCCC1

Technology Process of Pentyl cyclohexanecarboxylate

There total 4 articles about Pentyl cyclohexanecarboxylate 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: 86.0%

: 638-49-3
n-pentyl formate

: 98-89-5
Cyclohexanecarboxylic acid

: 6553-83-9
pentyl cyclohexanecarboxylate

Guidance literature:: With tert.-butylhydroperoxide; copper(II) bis(trifluoromethanesulfonate); In 1,2-dichloro-ethane; at 130 ℃; for 12h; Sealed tube;
DOI:10.1039/c4ob00193a

Reference yield: 82.0%

: 71-41-0
pentan-1-ol

: 2719-27-9
cyclohexanylcarbonyl chloride

: 6553-83-9
pentyl cyclohexanecarboxylate

Guidance literature:: With triethylamine; In dichloromethane; for 6h;
DOI:10.1021/jacs.1c03780

Reference yield: 74.0%

: 71-41-0
pentan-1-ol

: 110-82-7,25012-93-5
cyclohexane

: 201230-82-2
carbon monoxide

: 6553-83-9
pentyl cyclohexanecarboxylate

Guidance literature:: With 1,10-Phenanthroline; di-tert-butyl peroxide; copper dichloride; at 120 ℃; for 24h; under 15001.5 Torr; Autoclave; Inert atmosphere;
DOI:10.1002/cssc.201601587