Ethyl acetylsalicylate

Base Information

• Chemical Name: Ethyl acetylsalicylate
• CAS No.: 529-68-0
• Molecular Formula: C11H12 O4
• Molecular Weight: 208.214
• Hs Code.: 2918229000
• European Community (EC) Number: 208-467-4
• UNII: VX19C5613T
• DSSTox Substance ID: DTXSID60200948
• Nikkaji Number: J6.690G
• Wikidata: Q27292061
• Mol file: 529-68-0.mol

Synonyms:Ethyl 2-acetoxybenzoate;ETHYL ACETYLSALICYLATE;529-68-0;ethyl 2-acetyloxybenzoate;Acetylsalicylic Acid Ethyl Ester;Ethyl O-acetylsalicylate;UNII-VX19C5613T;2-Acetoxybenzoic Acid Ethyl Ester;VX19C5613T;EINECS 208-467-4;AI3-05003;ethyl 2-(acetyloxy)benzoate;ETHYL2-ACETOXYBENZOATE;Ethyl 2-acetoxybenzoate, 98%;SCHEMBL1872604;DTXSID60200948;MFCD00026824;AKOS015888374;AS-57969;Benzoic acid, 2-(acetyloxy)-, ethyl ester;CS-0327062;FT-0632313;D88454;A870853;Q27292061

Chemical Property of Ethyl acetylsalicylate

Chemical Property:

• Vapor Pressure: 0.00604mmHg at 25°C
• Melting Point: 70-71 °C
• Refractive Index: n20/D 1.506(lit.)
• Boiling Point: 272.6°Cat760mmHg
• Flash Point: 129.5°C
• PSA: 52.60000
• Density: 1.147g/cm³
• LogP: 1.78860
• Storage Temp.: 2-8°C
• Water Solubility.: 3.32g/L(37 oC)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 208.07355886
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethyl Acetylsalicylate >98.0%(GC) ^*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: CCOC(=O)C1=CC=CC=C1OC(=O)C

Technology Process of Ethyl acetylsalicylate

There total 12 articles about Ethyl acetylsalicylate 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: 66.0%

acetic anhydride (108-24-7) + 2-hydroxy-benzoic acid ethyl ester (118-61-6) → ethyl acetylsalicylate (529-68-0)

Guidance literature:

With Hβ zeolite (Si:Al 12.5); at 20 ℃; for 18h;

DOI:10.1039/b301260c

Reference yield:

ethanol (64-17-5) + aspirin (50-78-2,98201-60-6) → ethyl acetylsalicylate (529-68-0)

Guidance literature:

With sulfuric acid;

DOI:10.1016/j.ejmech.2009.04.009

Reference yield:

benzoic acid ethyl ester (93-89-0,99341-95-4) + acetic anhydride (108-24-7) → ethyl acetylsalicylate (529-68-0) + ethyl 4-acetoxybenzoate (13031-45-3) + m-EtO2CC6H4OAc (68191-25-3)

Guidance literature:

acetic anhydride; With pyridine; iodomesitylene diacetate; palladium diacetate; In acetic acid; at 20 ℃; for 0.0166667h;

benzoic acid ethyl ester; In acetic acid; at 100 ℃; for 21h;

DOI:10.1002/anie.201103327

upstream raw materials:

quinoline

ethanol

O-acetylsalicyloyl chloride

acetic anhydride

Downstream raw materials:

ethyl 3,5-dinitrosalicylate

2-hydroxy-benzoic acid ethyl ester

2-(5-{[2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-ylamino]methyl}-1,3,4-oxadiazol-2-yl)phenyl acetate

Refernces

• 1、 Ahsan, Mohamed Jawed,Samy, Jeyabalan Govinda,Khalilullah, Habibullah,Nomani, Md. Shivli,Saraswat, Pankaj,Gaur, Ramakant,Singh, Abhimanyu. "Molecular properties prediction and synthesis of novel 1,3,4-oxadiazole analogues as potent antimicrobial and antitubercular agents". supporting information; experimental part. p. 7246 - 7250. Retrieved 2012/02/04.
• 2、 Emmert, Marion H.,Gary, J. Brannon,Villalobos, Janette M.,Sanford, Melanie S.. "Platinum and palladium complexes containing cationic ligands as catalysts for arene H/D exchange and oxidation". supporting information; experimental part. p. 5884 - 5886. Retrieved 2010/11/19.