Butyl nonanoate

Base Information

• Chemical Name: Butyl nonanoate
• CAS No.: 50623-57-9
• Molecular Formula: C13H26 O2
• Molecular Weight: 214.348
• Hs Code.: 2915900090
• European Community (EC) Number: 256-661-2
• UNII: 9YX9F28J2N
• DSSTox Substance ID: DTXSID80198671
• Nikkaji Number: J115.092H
• Wikidata: Q27273395
• Mol file: 50623-57-9.mol

Synonyms:BUTYL NONANOATE;Butyl nonan-1-oate;50623-57-9;Nonanoic acid, butyl ester;Butyl pelargonate;nonanoic acid butyl ester;UNII-9YX9F28J2N;9YX9F28J2N;EINECS 256-661-2;AI3-33588;N-BUTYL NONANOATE;Pelargonic acid butyl ester;SCHEMBL395831;n-Pelargonic acid, butyl ester;DTXSID80198671;AKOS017548030;Q27273395

Chemical Property of Butyl nonanoate

Chemical Property:

• Vapor Pressure: 0.0136mmHg at 25°C
• Melting Point: -38°C
• Refractive Index: 1.4262
• Boiling Point: 259℃
• Flash Point: 110℃
• PSA: 26.30000
• Density: 0.869
• LogP: 4.08030
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 214.193280068
• Heavy Atom Count: 15
• Complexity: 144

Purity/Quality:

99% ^*data from raw suppliers

BUTYL NONANOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCC(=O)OCCCC

Technology Process of Butyl nonanoate

There total 12 articles about Butyl 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: 99.0%

1-bromo-butane (109-65-9) + nonanoic acid (112-05-0) → n-butyl nonanoate (50623-57-9)

Guidance literature:

With potassium fluoride; tetra(n-butyl)ammonium hydrogensulfate; In tetrahydrofuran; at 20 ℃; for 6h;

DOI:10.1016/S0040-4039(01)02035-4

Reference yield: 94.3%

nonanoic acid (112-05-0) + butan-1-ol (71-36-3) → n-butyl nonanoate (50623-57-9)

Guidance literature:

With 3H⁽¹⁺⁾*O₄₀SiW₁₂^(4-)*C₂₁H₂₂O₃PS⁽¹⁺⁾; Reflux; Dean-Stark;

DOI:10.1007/s11696-019-00693-1

Reference yield: 92.0%

acrylic acid n-butyl ester (141-32-2,9003-49-0) + 1-Iodohexane (638-45-9) → n-butyl nonanoate (50623-57-9)

Guidance literature:

With Karstedt’s catalyst; water; zinc; In acetonitrile; at 80 ℃; for 6h;

DOI:10.1021/jo052065w

upstream raw materials:

nonanoic acid

butan-1-ol

boric acid tributyl ester

1-bromo-octane

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