Decyl butyrate

Base Information

• Chemical Name: Decyl butyrate
• CAS No.: 5454-09-1
• Molecular Formula: C14H28 O2
• Molecular Weight: 228.375
• European Community (EC) Number: 226-700-8
• NSC Number: 23061
• UNII: 5092J5M42W
• DSSTox Substance ID: DTXSID4063903
• Nikkaji Number: J183.070H
• Wikidata: Q27260773
• Metabolomics Workbench ID: 4067
• Mol file: 5454-09-1.mol

Synonyms:Decyl butyrate;Decyl butanoate;Butanoic acid, decyl ester;Butyric acid, decyl ester;5454-09-1;n-Decyl butanoate;ENT 30734;454-09-1;NSC-23061;5092J5M42W;Butanoic acid,decylester;WE(10:0/4:0);Decyl butyrate, 97%;Butyric acid decyl ester;DECYL BUTYRATE [FHFI];FEMA2368;SCHEMBL1171560;DTXSID4063903;UNII-5092J5M42W;FEMA 2368;CHEBI:179779;Butyric acid, decyl ester (8CI);NSC23061;EINECS 226-700-8;LMFA07010422;NSC 23061;AI3-30734;FT-0624493;Q27260773

Chemical Property of Decyl butyrate

Chemical Property:

• Vapor Pressure: 0.00532mmHg at 25°C
• Melting Point: -46°C (estimate)
• Refractive Index: n20/D 1.431(lit.)
• Boiling Point: 274.7°Cat760mmHg
• Flash Point: 120°C
• PSA: 26.30000
• Density: 0.867g/cm³
• LogP: 4.47040
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 228.208930132
• Heavy Atom Count: 16
• Complexity: 155

Purity/Quality:

99% ^*data from raw suppliers

DECYL BUTYRATE 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCOC(=O)CCC

Technology Process of Decyl butyrate

There total 7 articles about Decyl butyrate 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: 94.0%

1-Decanol (112-30-1) + butyraldehyde (123-72-8) → decyl butanoate (5454-09-1)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; bromine; sodium hydrogencarbonate; In dichloromethane; water;

DOI:10.1016/0040-4039(90)80204-Y

Reference yield: 90.0%

1-Decanol (112-30-1) + butyric acid (107-92-6) → decyl butanoate (5454-09-1)

Guidance literature:

With iron(III) chloride; at 20 ℃; for 3h;

DOI:10.1055/s-1999-2806

Reference yield: 71.0%

triethyl borane (97-94-9) + decyl 2,2-dichloroacetate (83005-00-9) → decyl butanoate (5454-09-1)

Guidance literature:

With N,N-dimethyl acetamide; tetrabutylammomium bromide; In tetrahydrofuran; at 20 - 40 ℃; Electrolysis;

DOI:10.1016/j.jorganchem.2006.03.030

upstream raw materials:

1-Decanol

butyric acid

3-oxobutyric acid decyl ester

butyraldehyde