Dodecyl nonan-1-oate

Base Information

Chemical Name:Dodecyl nonan-1-oate
CAS No.:17671-26-0
Molecular Formula:C21H42 O2
Molecular Weight:326.563
Hs Code.:
European Community (EC) Number:241-644-4
DSSTox Substance ID:DTXSID40170175
Nikkaji Number:J115.157F
Wikidata:Q83040058
Metabolomics Workbench ID:4098
Mol file:17671-26-0.mol

Synonyms:dodecyl nonanoate;Dodecyl nonan-1-oate;17671-26-0;EINECS 241-644-4;WE(12:0/9:0);Nonanoic acid dodecyl ester;Nonanoic acid, dodecyl ester;SCHEMBL9556148;DTXSID40170175;LMFA07010453

Suppliers and Price of Dodecyl nonan-1-oate

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 Dodecyl nonan-1-oate

Chemical Property:

Vapor Pressure:7.6E-06mmHg at 25°C
Boiling Point:375.8°Cat760mmHg
Flash Point:185°C
PSA：26.30000
Density:0.862g/cm³
LogP:7.20110
Water Solubility.:2.43μg/L at 20℃
XLogP3:9.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:19
Exact Mass:326.318480578
Heavy Atom Count:23
Complexity:238

Purity/Quality:: 99.9% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCCCCCOC(=O)CCCCCCCC

Technology Process of Dodecyl nonan-1-oate

There total 3 articles about Dodecyl nonan-1-oate 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: 90.0%

: 112-53-8
1-dodecyl alcohol

: 112-05-0
nonanoic acid

: 17671-26-0
dodecyl nonanoate

Guidance literature:: With silphos; at 20 ℃; for 0.0833333h; Neat (no solvent);
DOI:10.1080/00397911.2011.555903

Reference yield: 83.0%

: 60420-33-9
3-nonanoyloxazolidin-2-one

: 112-53-8
1-dodecyl alcohol

: 17671-26-0
dodecyl nonanoate

Guidance literature:: With ytterbium(III) triflate; In acetonitrile; at 90 ℃; for 48h; Sealed tube; Inert atmosphere;
DOI:10.1021/acs.orglett.8b01896

Reference yield:

: 764-85-2
Nonanoyl chloride

: 17671-26-0
dodecyl nonanoate

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium hydride / mineral oil; tetrahydrofuran / 0.92 h / 0 - 20 °C

1.2: 20 °C

2.1: ytterbium(III) triflate / acetonitrile / 48 h / 90 °C / Sealed tube; Inert atmosphere

With sodium hydride; ytterbium(III) triflate; In tetrahydrofuran; acetonitrile; mineral oil;
DOI:10.1021/acs.orglett.8b01896