Isopropyl undecanoate

Base Information

Chemical Name:Isopropyl undecanoate
CAS No.:50638-98-7
Molecular Formula:C₁₄H₂₈O₂
Molecular Weight:228.375
Hs Code.:
European Community (EC) Number:256-674-3
UNII:WZ4A7755HE
DSSTox Substance ID:DTXSID90198682
Nikkaji Number:J261.573H
Wikidata:Q83071506
Mol file:50638-98-7.mol

Synonyms:Isopropyl undecanoate;50638-98-7;WZ4A7755HE;EINECS 256-674-3;UNII-WZ4A7755HE;SCHEMBL3503028;Undecanoic acid, isopropyl ester;1-METHYLETHYL UNDECANOATE;DTXSID90198682;KJRRQERTCPYNMS-UHFFFAOYSA-N;Undecanoic acid 1-methylethyl ester;Undecanoic acid, 1-methylethyl ester

Suppliers and Price of Isopropyl undecanoate

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 6 raw suppliers

Chemical Property of Isopropyl undecanoate

Chemical Property:

Vapor Pressure:0.00918mmHg at 25°C
Boiling Point:265.4°C at 760 mmHg
Flash Point:115°C
PSA：26.30000
Density:0.866g/cm³
LogP:4.46880
XLogP3:5.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:11
Exact Mass:228.208930132
Heavy Atom Count:16
Complexity:164

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCCCC(=O)OC(C)C

Technology Process of Isopropyl undecanoate

There total 1 articles about Isopropyl undecanoate 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:

: 872-05-9,17438-89-0,25189-70-2
1-Decene

: 201230-82-2
carbon monoxide

: 67-63-0,8013-70-5
isopropyl alcohol

: 50638-98-7
isopropyl undecanoate

: C₁₄H₂₈O₂

Guidance literature:: With titanium(IV) isopropylate; lithium chloride; palladium dichloride; 1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane; In 1,2-dimethoxyethane; at 110 ℃; for 22h; under 18100.7 Torr; Overall yield = 89 %; regioselective reaction; Autoclave;
DOI:10.1021/acs.joc.5b00851