Octyl decanoate

Base Information

• Chemical Name: Octyl decanoate
• CAS No.: 2306-92-5
• Molecular Formula: C18H36O2
• Molecular Weight: 284.483
• Hs Code.: 2915900090
• European Community (EC) Number: 218-983-1
• UNII: VX4042MLV4
• DSSTox Substance ID: DTXSID2062321
• Nikkaji Number: J115.104E
• Wikidata: Q27292065
• Metabolomics Workbench ID: 4102
• Mol file: 2306-92-5.mol

Synonyms:Octyl decanoate;Octyl caprate;Decanoic acid, octyl ester;2306-92-5;UNII-VX4042MLV4;VX4042MLV4;EINECS 218-983-1;WE(8:0/10:0);Decanoic acid, octylester;octyldecanoate;n-Octyl decanoate;Octyl decanoate #;CAPRYLYL CAPRATE;Capric acid octyl ester;1-OCTYL DECANOATE;SCHEMBL333589;DTXSID2062321;LMFA07010457;Q27292065

Chemical Property of Octyl decanoate

Chemical Property:

• Vapor Pressure: 0.000126mmHg at 25°C
• Refractive Index: 1.442
• Boiling Point: 334.7 °C at 760 mmHg
• Flash Point: 158.5 °C
• PSA: 26.30000
• Density: 0.864 g/cm³
• LogP: 6.03080
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 284.271530387
• Heavy Atom Count: 20
• Complexity: 202

Purity/Quality:

99%, ^*data from raw suppliers

OCTYL CAPRATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC(=O)OCCCCCCCC

Technology Process of Octyl decanoate

There total 2 articles about Octyl decanoate 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: 99.0%

caprinaldehyde (112-31-2) + octanol (111-87-5) → decanoic acid octyl ester (2306-92-5)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate; benzyl chloride; In tetrahydrofuran; at 110 ℃; for 9h; chemoselective reaction; Inert atmosphere;

DOI:10.1002/anie.201201960

Reference yield: 98.0%

octanol (111-87-5) + 1-decanoic acid (334-48-5) → decanoic acid octyl ester (2306-92-5)

Guidance literature:

With nano sulfated-TiO₂; In neat (no solvent); at 80 ℃; for 1.5h; under 760.051 Torr;

DOI:10.1016/j.crci.2012.10.016

upstream raw materials:

octanol

1-decanoic acid

caprinaldehyde

Refernces

• 1、 Liu, Chao,Tang, Shan,Zheng, Liwei,Liu, Dong,Zhang, Heng,Lei, Aiwen. "Covalently bound benzyl ligand promotes selective palladium-catalyzed oxidative esterification of aldehydes with alcohols". supporting information; experimental part. p. 5662 - 5666. Retrieved 2012/07/01.