2-Hydroxyethyl nonanoate

Base Information

• Chemical Name: 2-Hydroxyethyl nonanoate
• CAS No.: 16179-40-1
• Molecular Formula: C11H22O3
• Molecular Weight: 202.29100
• European Community (EC) Number: 608-654-4
• DSSTox Substance ID: DTXSID10865602
• Nikkaji Number: J106.454A
• Mol file: 16179-40-1.mol

Synonyms:2-hydroxyethyl nonanoate;16179-40-1;31621-91-7;Nonanoic acid, 2-hydroxyethyl ester;Ethylene glycol nonanoate;(2-hydroxyethyl)nonanoate;PEG-400 Monopelargonate;ethylene glycol monopelargonate;SCHEMBL1443883;DTXSID10865602

Chemical Property of 2-Hydroxyethyl nonanoate

Chemical Property:

• PSA: 46.53000
• LogP: 2.27250
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 202.15689456
• Heavy Atom Count: 14
• Complexity: 135

Purity/Quality:

99.0%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCC(=O)OCCO

Technology Process of 2-Hydroxyethyl nonanoate

There total 7 articles about 2-Hydroxyethyl 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: 87.0%

2-octyl-1,3-dioxolane (5432-30-4) → Pelargonsaeure-<2-hydroxy-aethylester> (16179-40-1)

Guidance literature:

With [bis(acetoxy)iodo]benzene; water; lithium bromide; at 20 ℃; for 0.25h;

DOI:10.1016/j.tet.2010.01.098

Reference yield: 86.0%

1-(2-hydroxyethoxy)nonyl hydroperoxide (252062-78-5) → Pelargonsaeure-<2-hydroxy-aethylester> (16179-40-1)

Guidance literature:

With calcium hypochlorite; In acetonitrile; at 20 ℃; for 0.166667h;

DOI:10.1016/j.tetlet.2010.08.068

Reference yield: 53.0%

nonan-1-al (124-19-6) + ethylene glycol (107-21-1) → Pelargonsaeure-<2-hydroxy-aethylester> (16179-40-1) + 1,2-bis-nonanoyloxy-ethane (15805-87-5)

Guidance literature:

With pyridinium hydrobromide perbromide; In water; at 20 ℃; for 37h;

DOI:10.1055/s-2004-835630

upstream raw materials:

2-chloro-ethanol

nonan-1-al

ethylene glycol

2-octyl-1,3-dioxolane

Refernces

• 1、 Pruvost, Romain,Boulanger, Jér?me,Léger, Bastien,Ponchel, Anne,Monflier, Eric,Ibert, Mathias,Mortreux, André,Sauthier, Mathieu. "Biphasic Palladium-Catalyzed Hydroesterification in a Polyol Phase: Selective Synthesis of Derived Monoesters". . p. 2133 - 2137. Retrieved 2015/06/30.
• 2、 Fisher, Thomas J.,Dussault, Patrick H.. "Fragmentation of chloroperoxides: Hypochlorite-mediated dehydration of hydroperoxyacetals to esters". experimental part. p. 5615 - 5617. Retrieved 2010/10/21.