Ethanol, 2-(nonyloxy)-

Base Information

• Chemical Name: Ethanol, 2-(nonyloxy)-
• CAS No.: 39587-22-9
• Molecular Formula: C₁₁H₂₄O₂
• Molecular Weight: 188.31
• European Community (EC) Number: 813-103-8
• DSSTox Substance ID: DTXSID30891403
• Nikkaji Number: J103.782J
• Wikidata: Q81981827
• Mol file: 39587-22-9.mol

Synonyms:Ethanol, 2-(nonyloxy)-;2-nonoxyethanol;18913-04-7;ethylene glycol monononyl ether;Noneth-4;39587-22-9;2-Nonyloxyethanol;2-(Nonyloxy)ethanol;UNII-E6B1T8FWGO;UNII-GO51IA5SUT;UNII-YD53KBL4WZ;SCHEMBL995071;DTXSID30891403;Ethylene glycol mono-n-nonyl ether

Chemical Property of Ethanol, 2-(nonyloxy)-

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Refractive Index: 1.454-1.456
• Boiling Point: 165-210 °C
• Flash Point: 226 °C
• PSA: 29.46000
• Density: 1
• LogP: 2.74590
• Storage Temp.: -20°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 188.177630004
• Heavy Atom Count: 13
• Complexity: 84.2

Purity/Quality:

99% ^*data from raw suppliers

POLYETHYLENEGLYCOL 300 MONONONYL ETHER 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/38-19
• Safety Statements: 37/39-26

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCOCCO

Technology Process of Ethanol, 2-(nonyloxy)-

There total 18 articles about Ethanol, 2-(nonyloxy)- 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: 97.0%

2-octyl-1,3-dioxolane (5432-30-4) → ethylene glycol monononyl ether (18913-04-7,142287-15-8,27044-11-7,39587-22-9)

Guidance literature:

With chloro-trimethyl-silane; zinc(II) tetrahydroborate; In diethyl ether; at 25 ℃; for 14h;

DOI:10.1021/jo00388a049

Reference yield: 61.0%

1-Bromononane (693-58-3) + ethylene glycol (107-21-1) → ethylene glycol monononyl ether (18913-04-7,142287-15-8,27044-11-7,39587-22-9)

Guidance literature:

With tetrabutylammomium bromide; potassium hydroxide; In 1,4-dioxane; at 100 - 105 ℃;

DOI:10.1007/s11172-014-0761-x

Reference yield: 58.0%

ethylene glycol (107-21-1) + nonyl alcohol (143-08-8) → ethylene glycol monononyl ether (18913-04-7,142287-15-8,27044-11-7,39587-22-9)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; Reflux;

upstream raw materials:

triundecylborane

undecyl alcohol

2-octyl-1,3-dioxolane

1-Bromononane

Refernces

• 1、 -. "Voriconazole derivative, synthesis thereof, and use thereof in long-acting preparation". Paragraph 0090. . Retrieved 2017/03/17.
• 2、 Tcarkova,Belus’,Artyushin,Kharlamov,Bondarenko. "Synthesis of acyclic quaternary ammonium compounds containing ω-alkoxyethyl and 2-hydroxyethyl substituents at the nitrogen atom". . p. 2697 - 2701. Retrieved 2016/10/03.