Isopentyl cyclohexanecarboxylate

Base Information

Chemical Name:Isopentyl cyclohexanecarboxylate
CAS No.:25183-19-1
Molecular Formula:C12H22 O2
Molecular Weight:198.305
Hs Code.:2916209090
European Community (EC) Number:246-717-4
UNII:NX48U7GG2V
DSSTox Substance ID:DTXSID70179853
Nikkaji Number:J236.083G
Wikidata:Q83050372
Mol file:25183-19-1.mol

Synonyms:Isopentyl cyclohexanecarboxylate;25183-19-1;NX48U7GG2V;Cyclohexanecarboxylic acid, 3-methylbutyl ester;EINECS 246-717-4;AI3-33534;CYCLOHEXANECARBOXYLIC ACID ISOAMYL ESTER;UNII-NX48U7GG2V;DTXSID70179853;Isopentyl cyclohexanecarboxylate #;2-PHENYL-OXAZOLE-4-CARBOXYLICACIDMETHYLESTER;CYCLOHEXANECARBOXYLIC ACID 3-METHYLBUTYL ESTER

Suppliers and Price of Isopentyl 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 7 raw suppliers

Chemical Property of Isopentyl cyclohexanecarboxylate

Chemical Property:

Vapor Pressure:0.0436mmHg at 25°C
Boiling Point:237.9°Cat760mmHg
Flash Point:99°C
PSA：26.30000
Density:0.942g/cm³
LogP:3.15600
XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:198.161979940
Heavy Atom Count:14
Complexity:169

Purity/Quality:: 98%Min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CCOC(=O)C1CCCCC1

Technology Process of Isopentyl cyclohexanecarboxylate

There total 4 articles about Isopentyl 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: 80.0%

: 123-51-3
i-Amyl alcohol

: 98-89-5
Cyclohexanecarboxylic acid

: 25183-19-1
isopentyl cyclohexanecarboxylate

Guidance literature:: With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In dichloromethane; at 23 ℃; for 6h;
DOI:10.1002/anie.201411807

Reference yield: 31.0%

: 119-60-8
dicyclohexyl ketone

: 110-46-3
isopentyl nitrite

: 100-64-1
cyclohexanone-oxime

: 25183-19-1
isopentyl cyclohexanecarboxylate

Guidance literature:: dicyclohexyl ketone; With potassium hexamethylsilazane; In tetrahydrofuran; at -78 ℃; for 0.25h; Inert atmosphere; Schlenk technique;

isopentyl nitrite; In tetrahydrofuran; at -78 ℃; for 0.75h; Inert atmosphere; Schlenk technique;
DOI:10.1021/acs.joc.1c01169