Pentyl propionate

Base Information

• Chemical Name: Pentyl propionate
• CAS No.: 624-54-4
• Molecular Formula: C8H16 O2
• Molecular Weight: 144.214
• Hs Code.: 2915509000
• European Community (EC) Number: 210-852-7
• NSC Number: 7931
• UN Number: 3272
• UNII: 826P0596UJ
• DSSTox Substance ID: DTXSID4041606
• Nikkaji Number: J95.711I
• Wikipedia: Pentyl_propanoate
• Wikidata: Q3050158
• Metabolomics Workbench ID: 45008
• Mol file: 624-54-4.mol

Synonyms:Pentyl propionate;Pentyl propanoate;AMYL PROPIONATE;n-Pentyl propionate;624-54-4;Amyl propanoate;Propanoic acid, pentyl ester;Pentyl propanate;n-Amyl propionate;n-Pentyl propanoate;Propionic acid, pentyl ester;NSC 7931;n-Amyl propionate (natural);N-Amyl n-propionate;EINECS 210-852-7;propionic acid pentyl ester;BRN 1747102;AI3-24356;UNII-826P0596UJ;NSC-7931;826P0596UJ;EC 210-852-7;Propionic acid, pentyl ester (6CI,7CI,8CI);PPE (CHRIS Code);Pentyl propionate, >=99%;SCHEMBL20847;DTXSID4041606;CHEBI:87373;NSC7931;MFCD00048849;AKOS015902810;LS-121581;FT-0622381;Q3050158

Chemical Property of Pentyl propionate

Chemical Property:

• Appearance/Colour: CLEAR COLOURLESS LIQUID
• Vapor Pressure: 1.6mmHg at 25°C
• Melting Point: -75 °C
• Refractive Index: n20/D 1.4074(lit.)
• Boiling Point: 169 °C(lit.)
• Flash Point: 133 °F
• PSA: 26.30000
• Density: 0.873 g/mL at 25 °C(lit.)
• LogP: 2.12980
• Storage Temp.: Flammables area
• Water Solubility.: 706.7mg/L(20 oC)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 144.115029749
• Heavy Atom Count: 10
• Complexity: 89.3
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99.9% ^*data from raw suppliers

Pentyl propionate ≥99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 10
• Safety Statements: 23-24

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCOC(=O)CC
• Uses: Pentyl propionate, an ester, has been employed for the evaluation of experimental values of HEm and VEm at 318.15K for the binary mixtures of alkyl propanoates with alkanes.

Technology Process of Pentyl propionate

There total 14 articles about Pentyl propionate 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: 96.8%

pentan-1-ol (71-41-0) + propionic acid (802294-64-0,79-09-4) → amyl propionate (624-54-4)

Guidance literature:

With Rhizomucor miehei lipase; In n-heptane; at 40 ℃; for 24h; Enzymatic reaction;

Reference yield: 95.5%

pentan-1-ol (71-41-0) + vinyl propionate (105-38-4) → amyl propionate (624-54-4)

Guidance literature:

With lipase B from Candida sp. expressed in Aspergillus niger; In aq. buffer; for 20h; pH=7.2; Green chemistry; Enzymatic reaction;

DOI:10.1039/c9gc00779b

Reference yield: 90.0%

pentan-1-ol (71-41-0) + propionyl chloride (79-03-8) → amyl propionate (624-54-4)

Guidance literature:

With zinc; In benzene; for 0.1h;

DOI:10.1080/00397919808004286

upstream raw materials:

1-Bromopentane

sodium proprionate

pentan-1-ol

propionic acid

Downstream raw materials:

sec-amyl propionate

pentan-1-ol

propionic acid

Refernces

• 1、 -. "Method for synthesizing propionate through ester-ester exchange path". Paragraph 0030-0031. . Retrieved 2019/04/04.
• 2、 Dong, Kaiwu,Sang, Rui,Fang, Xianjie,Franke, Robert,Spannenberg, Anke,Neumann, Helfried,Jackstell, Ralf,Beller, Matthias. "Efficient Palladium-Catalyzed Alkoxycarbonylation of Bulk Industrial Olefins Using Ferrocenyl Phosphine Ligands". supporting information. p. 5267 - 5271. Retrieved 2017/04/27.