Nonanoic acid, 2-butoxyethyl ester

Base Information

• Chemical Name: Nonanoic acid, 2-butoxyethyl ester
• CAS No.: 20442-11-9
• Molecular Formula: C15H30O3
• Molecular Weight: 258.401
• Hs Code.: 2915900090
• European Community (EC) Number: 243-825-3
• UNII: 2LXE95V7DR
• DSSTox Substance ID: DTXSID0066614
• Nikkaji Number: J280.597I
• Wikidata: Q81993190
• Mol file: 20442-11-9.mol

Synonyms:Nonanoic acid, 2-butoxyethyl ester;20442-11-9;2-Butoxyethyl nonan-1-oate;EINECS 243-825-3;2-butoxyethyl nonanoate;NONANOIC ACID 2-BUTOXYETHYL ESTER;2-butoxyethyl pelargonate;2LXE95V7DR;Ethanol, 2-butoxy-, nonanoate;DTXSID0066614

Chemical Property of Nonanoic acid, 2-butoxyethyl ester

Chemical Property:

• Vapor Pressure: 0.000139mmHg at 25°C
• Boiling Point: 333.1°Cat760mmHg
• Flash Point: 117.8°C
• PSA: 35.53000
• Density: 0.903g/cm³
• LogP: 4.09690
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 258.21949481
• Heavy Atom Count: 18
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC(=O)OCCOCCCC

Technology Process of Nonanoic acid, 2-butoxyethyl ester

There total 3 articles about Nonanoic acid, 2-butoxyethyl ester 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%

Nonanoyl chloride (764-85-2) + 2-Butoxyethanol (111-76-2,9004-77-7) → 2-butoxyethyl nonanoate (20442-11-9)

Guidance literature:

at 100 ℃; for 15h;

DOI:10.1021/jo402519m

Reference yield:

2-Butoxyethanol (111-76-2,9004-77-7) + nonyl alcohol (143-08-8) → 3-butoxy-propionic acid-(2-butoxy-ethyl ester) (7770-34-5) + n-nonyl nonanoate (87310-12-1) + 1-nonyl 2-butoxyacetate (1542145-07-2) + 2-butoxyethyl nonanoate (20442-11-9)

Guidance literature:

With pyridine; 4-acetylamino-2,2,6,6-tetramethylpiperidine-1-oxoammonium tetrafluoroborate; In dichloromethane; for 4h;

DOI:10.1021/jo402519m

Reference yield:

→ 2-butoxyethyl nonanoate (20442-11-9)

Guidance literature:

Butoxyethanol, Pelargonsaeure;

upstream raw materials:

2-Butoxyethanol

nonyl alcohol

Nonanoyl chloride

Refernces