Octyl nonanoate

Base Information

• Chemical Name: Octyl nonanoate
• CAS No.: 5303-26-4
• Molecular Formula: C17H34 O2
• Molecular Weight: 270.456
• Hs Code.: 2915900090
• European Community (EC) Number: 226-151-4
• UNII: 04S3SB2FEX
• DSSTox Substance ID: DTXSID40201074
• Nikkaji Number: J115.096K
• Wikidata: Q63395883
• Mol file: 5303-26-4.mol

Synonyms:Octyl nonanoate;Octyl pelargonate;5303-26-4;Nonanoic acid, octyl ester;04S3SB2FEX;EINECS 226-151-4;Nonanoic acid octyl ester;Octyl nonanoate #;UNII-04S3SB2FEX;SCHEMBL1274588;DTXSID40201074;Q63395883

Chemical Property of Octyl nonanoate

Chemical Property:

• Vapor Pressure: 0.000321mmHg at 25°C
• Boiling Point: 320.3°Cat760mmHg
• Flash Point: 149.3°C
• PSA: 26.30000
• Density: 0.865g/cm³
• LogP: 5.64070
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 270.255880323
• Heavy Atom Count: 19
• Complexity: 190

Purity/Quality:

99%, ^*data from raw suppliers

OCTYL PELARGONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC(=O)OCCCCCCCC

Technology Process of Octyl nonanoate

There total 9 articles about Octyl nonanoate 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: 91.0%

1-Iodooctane (629-27-6) → octyl nonanoate (5303-26-4)

Guidance literature:

With tetrabutyl ammonium fluoride; water; In tetrahydrofuran; for 20h; Heating;

DOI:10.1039/c39920001678

Reference yield: 91.0%

1-Iodooctane (629-27-6) → octyl nonanoate (5303-26-4)

Guidance literature:

With hexacarbonyl molybdenum; tetrabutyl ammonium fluoride; water; In tetrahydrofuran; for 20h; Heating; other halides; also in the presence of methyl formate as carbonyl source; also KF and 18-crown-6 as fluoride source; var. temp. and reaction times;

DOI:10.1039/c39920001678

Reference yield: 84.0%

1-Iodooctane (629-27-6) → heptadecan-9-one (540-08-9) + octyl nonanoate (5303-26-4)

Guidance literature:

With tetrabutyl ammonium fluoride; water; In 1,4-dioxane; Heating;

DOI:10.1039/c39920001678

upstream raw materials:

octanol

nonanoic acid

1-Iodooctane

Methyl formate

Refernces

• 1、 Fraind, Alicia,Turncliff, Ryan,Fox, Teri,Sodano, Justin,Ryzhkov, Lev R.. "Exceptionally high decarboxylation rate of a primary aliphatic acyloxy radical determined by radical product yield analysis and quantitative 1H-CIDNP spectroscopy". scheme or table. p. 809 - 820. Retrieved 2012/06/29.
• 2、 Sugiura, Masaharu,Hagio, Hiroyuki,Kobayashi, Shu. "Radical-mediated Carbonylation of Alkyl Iodides in Aqueous Media". . p. 898 - 899. Retrieved 2007/10/03.