Propionate

Base Information

• Chemical Name: Propionate
• CAS No.: 72-03-7
• Molecular Formula: C3H5O2-
• Molecular Weight: 73.0715
• UNII: AKW5EM890C
• DSSTox Substance ID: DTXSID90222279
• Nikkaji Number: J367.323E
• Wikipedia: Propionate
• Wikidata: Q862450
• Mol file: 72-03-7.mol

Synonyms:Acid, Propanoic;Acids, Propanoic;Acids, Propionic;Derivatives, Propanoic Acid;Derivatives, Propionic Acid;Propanoate;Propanoates;Propanoic Acid;Propanoic Acid Derivatives;Propanoic Acids;Propionate;Propionates;Propionic Acid Derivatives;Propionic Acids

Chemical Property of Propionate

Chemical Property:

• Melting Point: -21.5oC
• Boiling Point: 141.7°Cat760mmHg
• Flash Point: 57.7°C
• PSA: 40.13000
• Density: g/cm³
• LogP: -0.85370
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 73.028954398
• Heavy Atom Count: 5
• Complexity: 34.6

Purity/Quality:

99% ^*data from raw suppliers

PROPIONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)[O-]
• Recent ClinicalTrials: Investigating Optimal Propionate Delivery to the Colon Using Stable Isotope Labeling

Technology Process of Propionate

There total 12 articles about 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: 92.0%

allyl alcohol (107-18-6) → propanoate (72-03-7)

Guidance literature:

With [Rh(1,3,4,5-tetramethylimidazole-2-ylidene)(trop₂NH)][trifluoromethanesulfonate]; potassium tert-butylate; dinitrogen monoxide; In tetrahydrofuran; water; toluene; at 50 ℃; under 750.075 Torr; Schlenk technique;

DOI:10.1002/anie.201509288

Reference yield:

Ethyl propionate (105-37-3,20741-13-3) → ethanol (64-17-5) + propanoate (72-03-7)

Guidance literature:

With sodium hydroxide; In ethanol; water; for 0.416667h; Thermodynamic data; ΔH;

DOI:10.1021/ja00020a036

Reference yield:

butanone (78-93-3) → propanoate (72-03-7)

Guidance literature:

With potassium hydroxide; sodium periodate; ruthenium trichloride; In water; at 60 ℃; Rate constant; Mechanism; other temp. (40 deg C, 80 deg C); var. substrat conc., alkali conc.; (Ru(III)); ΔH(excit.), ΔS(excit.);

upstream raw materials:

m-nitrophenyl propanoate

propionic acid

Ethyl propionate

butanone

Downstream raw materials:

o-nitrobenzyl propionate

4-nitrobenzyl propionate

propan-1-ol

Nitromethane

Refernces

• 1、 Gianetti, Thomas L.,Annen, Samuel P.,Santiso-Quinones, Gustavo,Reiher, Markus,Driess, Matthias,Grützmacher, Hansj?rg. "Nitrous Oxide as a Hydrogen Acceptor for the Dehydrogenative Coupling of Alcohols". supporting information. p. 1854 - 1858. Retrieved 2016/02/03.
• 2、 Fang, Herbert H. P.,Jia, Xiao-Shan. "Formation of interim by-products in methanogenic degradation of butyrate". . p. 1791 - 1798. Retrieved 2007/10/03.