Propanoic acid, 4-methylphenyl ester

Base Information

• Chemical Name: Propanoic acid, 4-methylphenyl ester
• CAS No.: 7495-84-3
• Molecular Formula: C10H12 O2
• Molecular Weight: 164.204
• European Community (EC) Number: 231-347-8
• NSC Number: 407777,6012
• UNII: CO1VL9K4FT
• DSSTox Substance ID: DTXSID8064727
• Nikkaji Number: J307.842F
• Wikidata: Q81991777
• Mol file: 7495-84-3.mol

Synonyms:Propanoic acid, 4-methylphenyl ester;p-Tolyl propionate;7495-84-3;(4-methylphenyl) propanoate;4-Cresyl propionate;4-methylphenyl propionate;CO1VL9K4FT;NSC 6012;NSC-6012;Propanoic acid, 4-methylphenylester;EINECS 231-347-8;NSC 407777;NSC-407777;AI3-22019;p-tolyl propanoate;p - tolyl propionate;UNII-CO1VL9K4FT;P-CRESYL PROPIONATE;(4-Methylphenyl)propanoate;SCHEMBL2239096;P-METHYLPHENYL PROPIONATE;DTXSID8064727;4-METHYLPHENYL PROPANOATE;NSC6012;Propionic acid 4-methylphenyl ester;NSC407777;PROPIONIC ACID, P-TOLYL ESTER;AKOS032963896

Chemical Property of Propanoic acid, 4-methylphenyl ester

Chemical Property:

• Vapor Pressure: 0.0622mmHg at 25°C
• Boiling Point: 231.5°C at 760 mmHg
• Flash Point: 90.5°C
• PSA: 26.30000
• Density: 1.027g/cm³
• LogP: 2.31040
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 146

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)OC1=CC=C(C=C1)C

Technology Process of Propanoic acid, 4-methylphenyl ester

There total 9 articles about Propanoic acid, 4-methylphenyl 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: 99.0%

p-cresol (106-44-5) + propionic acid anhydride (123-62-6) → p-tolyl propionate (7495-84-3)

Guidance literature:

With erbium(III) chloride; at 50 ℃; for 1.5h;

DOI:10.1071/CH06346

Reference yield: 85.0%

p-cresol (106-44-5) + propionic acid (802294-64-0,79-09-4) → p-tolyl propionate (7495-84-3)

Guidance literature:

propionic acid; With thionyl chloride; for 0.5h; Reflux;

p-cresol; With triethylamine; In dichloromethane; for 1h; Reflux;

DOI:10.1002/bkcs.10067

Reference yield:

p-cresol (106-44-5) + propionyl chloride (79-03-8) → p-tolyl propionate (7495-84-3)

Guidance literature:

p-cresol; With sodium hydroxide; In acetonitrile; for 1.25h;

propionyl chloride; In acetonitrile; at 20 ℃; for 16h;

DOI:10.1021/ja0306011

upstream raw materials:

p-cresol

prop-1-en-1-one

propionic acid

propionic acid anhydride

Downstream raw materials:

1-(2-methoxy-5-methyl-phenyl)-propane-1,2-dione-2-oxime

1-(2-methoxy-5-methylphenyl)propan-1-one

(triphenylphosphine)3(CO)nickelk

ethene

Refernces

• 1、 Subramanian, Kripa,Yedage, Subhash L.,Bhanage, Bhalchandra M.. "Electrodimerization of N-Alkoxyamides for Zinc(II) Catalyzed Phenolic Ester Synthesis under Mild Reaction Conditions". . p. 2511 - 2521. Retrieved 2018/05/14.
• 2、 Venkatesha,Chandrashekara,Jai Prakash,Bhat. "Active and deactive modes of modified montmorillonite in p-cresol acylation". . p. 181 - 187. Retrieved 2014/06/24.