Propanoic acid, 1-methylpropyl ester

Base Information

• Chemical Name: Propanoic acid, 1-methylpropyl ester
• CAS No.: 591-34-4
• Molecular Formula: C₇H₁₄O₂
• Molecular Weight: 130.187
• European Community (EC) Number: 611-802-0
• DSSTox Substance ID: DTXSID30871780
• Nikkaji Number: J95.900F
• Mol file: 591-34-4.mol

Synonyms:butan-2-yl propanoate;Propanoic acid, 1-methylpropyl ester;591-34-4;Propionic acid, sec-butyl ester;1-Methylpropyl propanoate;Propionic acid sec-butyl ester;sec-Butyl propionate;SCHEMBL1585397;DTXSID30871780;AKOS006292042

Chemical Property of Propanoic acid, 1-methylpropyl ester

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 7.85mmHg at 25°C
• Melting Point: -80.46°C (estimate)
• Refractive Index: 1.404
• Boiling Point: 135.1 °C at 760 mmHg
• Flash Point: 33.4 °C
• PSA: 26.30000
• Density: 0.879 g/cm³
• LogP: 1.73810
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 130.099379685
• Heavy Atom Count: 9
• Complexity: 88.9

Purity/Quality:

98%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)OC(=O)CC

Technology Process of Propanoic acid, 1-methylpropyl ester

There total 5 articles about Propanoic acid, 1-methylpropyl 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:

2-butyl methyl ether (6795-87-5) + propionyl fluoride (430-71-7) → (Z)-2-Butene (590-18-1) + s-butyl propionate (591-34-4,76149-12-7,149403-06-5) + trans-2-Butene (624-64-6) + 2-fluorobutane (359-01-3)

Guidance literature:

With N-iodo-succinimide; In chloroform; at 0 - 20 ℃; for 16h;

Reference yield:

→ s-butyl propionate (591-34-4,76149-12-7,149403-06-5) + Iodoacetic acid (64-69-7) + butanone (78-93-3) + iso-butanol (78-92-2,15892-23-6)

Guidance literature:

at 150 ℃; for 10h; Further byproducts given;

Reference yield:

→ s-butyl propionate (591-34-4,76149-12-7,149403-06-5) + acetic acid methyl ester (79-20-9)

Guidance literature:

With 7percent NiO-13percentCo₂O₃/Li-Y; at 84 ℃; for 4h;

upstream raw materials:

SEC-BUTYLAMINE

propionic acid

propionaldehyde di-isobutyl acetal

2-butyl methyl ether

Downstream raw materials:

sec-amyl propionate

1-butylene

propionic acid

methylammonium carbonate

Refernces

• 1、 -. "METHOD FOR PRODUCING FLUORINATED HYDROCARBON". Paragraph 0061; 0072. . Retrieved 2018/03/09.
• 2、 Ahamed, K. A. Basheer,Nambi, K.,Arulraj, S. J.. "Kinetics of Chromic Acid Oxidation of Aliphatic Acetals in Aqueous Acetic Acid Medium". . p. 672 - 674. Retrieved 2007/10/02.