Propyl decanoate

Base Information

• Chemical Name: Propyl decanoate
• CAS No.: 30673-60-0
• Molecular Formula: C13H26O2
• Molecular Weight: 214.348
• Hs Code.: 2915900090
• European Community (EC) Number: 250-283-1
• UNII: S0HE9GRS1W
• DSSTox Substance ID: DTXSID00184713
• Nikkaji Number: J115.099E
• Wikidata: Q27159304
• Mol file: 30673-60-0.mol

Synonyms:Propyl decanoate;propyl caprate;30673-60-0;n-Propyl decanoate;Decanoic acid, propyl ester;Propyl caprate (natural);decanoic acid propyl ester;S0HE9GRS1W;Propyl caprate (decanoate);Decanoic acid n-propyl ester;EINECS 250-283-1;AI3-33576;Capric acid propyl ester;n-Propyl caprate;UNII-S0HE9GRS1W;Propyl decanoate, ~99%;1,25dihydroxyergocalciferol;SCHEMBL333896;CHEBI:86973;DTXSID00184713;MFCD00056329;CS-0450773;FT-0638932;E79387;Q27159304

Chemical Property of Propyl decanoate

Chemical Property:

• Appearance/Colour: Colorless liquid
• Vapor Pressure: 0.0136mmHg at 25°C
• Refractive Index: 1.432
• Boiling Point: 258.6 ºC at 760 mmHg
• Flash Point: 109.6 ºC
• PSA: 26.30000
• Density: 0.869 g/cm3
• LogP: 4.08030
• Storage Temp.: ?20°C
• XLogP3: 5.1
• 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

N-PROPYL DECANOATE 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC(=O)OCCC

Technology Process of Propyl decanoate

There total 5 articles about Propyl decanoate 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%

propan-1-ol (71-23-8) + 1-decanoic acid (334-48-5) → propyl decanoate (30673-60-0)

Guidance literature:

With alumina methanesulfonic acid; at 120 ℃; for 0.333333h; Microwave irradiation;

DOI:10.1080/00397911.2013.875210

Reference yield:

propan-1-ol (71-23-8) + 4-nitrophenyl decanoate (1956-09-8) → propyl decanoate (30673-60-0)

Guidance literature:

With induced mycelium-bound lipase from Aspergillus niger MYA 135; In hexane; acetone; at 37 ℃; for 1h; Reagent/catalyst; Enzymatic reaction;

DOI:10.1007/s10562-012-0901-6

Reference yield:

propan-1-ol (71-23-8) + non-1-ene (124-11-8) + carbon monoxide (201230-82-2) → propyl decanoate (30673-60-0) + 2-ethyl-octanoic acid propyl ester + 2-Methyl-nonanoic acid propyl ester

Guidance literature:

With acetone; bis-triphenylphosphine-palladium(II) chloride; at 90 ℃; for 6h; under 9880 Torr; Product distribution; effect of acetone added on the carobonylation;

DOI:10.1007/BF01157368

upstream raw materials:

propan-1-ol

1-decanoic acid

n-decanoyl chloride

non-1-ene

Refernces

• 1、 Romero, Cintia M.,Pera, Licia M.,Loto, Flavia,Baigori, Mario D.. "Specific enzyme-catalyzed hydrolysis and synthesis in aqueous and organic medium using biocatalysts with lipase activity from Aspergillus niger MYA 135". . p. 1361 - 1368. Retrieved 2013/01/15.
• 2、 Karpyuk, A. D.,Terekhova, M. I.,Kolosova, N. D.,Petrov, E. S.,Beletskaya, I. P.. "CARBONYLATION OF 1-NONENE ON Pd(II) COMPLEXES IN ALCOHOLS AT LOW CO PRESSURE". . p. 221 - 222. Retrieved 2007/10/02.