Acetate

Base Information

• Chemical Name: Acetate
• CAS No.: 71-50-1
• Molecular Formula: C2H3O2-
• Molecular Weight: 59.0446
• UNII: 569DQM74SC
• DSSTox Substance ID: DTXSID1037694
• Nikkaji Number: J209.470C
• Wikipedia: Acetate,Acetate ion
• Wikidata: Q9154808
• NCI Thesaurus Code: C94719
• Metabolomics Workbench ID: 154916
• Mol file: 71-50-1.mol

Synonyms:Acetate;Acetates;Acetic Acid Esters;Acetic Acids;Acids, Acetic;Esters, Acetic Acid

Chemical Property of Acetate

Chemical Property:

• PSA: 40.13000
• LogP: -1.24380
• Storage Temp.: Store at RT
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 59.013304334
• Heavy Atom Count: 4
• Complexity: 25.5

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)[O-]
• Recent ClinicalTrials: Exploring Novel Uses of Microbiota Therapy for Managing the Side Effects of Psychiatric Pharmaceutical Interventions
• Uses: ACET is a potent and selective GluR5-containing kainate receptor antagonist.

Technology Process of Acetate

There total 121 articles about Acetate 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:

N-(4-Nitrophenyl)acetamide (104-04-1) → acetate (71-50-1) + 4-nitro-aniline (100-01-6,104810-17-5)

Guidance literature:

With sodium hydroxide; In water; at 30.2 ℃; Kinetics; different NaOH concentrations;

DOI:10.1021/jo00329a036

Reference yield:

4-nitrophenol acetate (830-03-5) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + acetate (71-50-1)

Guidance literature:

With mono-6-deoxy-6-(1,5,9-triazadodecanyl)-β-cyclodextrin; sodium chloride; zinc(II) chloride; In water; acetonitrile; at 25 ℃; pH=7.0; Further Variations:; Reagents; concentration of reagents; Kinetics;

DOI:10.1016/S0968-0896(99)00310-7

Reference yield:

ethanol (64-17-5) → acetate (71-50-1) + hydrogen (1333-74-0)

Guidance literature:

With water; potassium hydroxide; at 60 ℃; Electrolysis;

DOI:10.1016/j.ica.2021.120245

upstream raw materials:

morpholine

N-acetylpyrrole

N-acetylindole

9-acetylcarbazole

Downstream raw materials:

indole nitranion

acetic acid

pentachlorophenolate ion

C₂H₆O*C₂H₃O₂^(1-)

Refernces

• 1、 Wong, E. H.,Valdez, Carmen,Gabe, E. J.,Lee, F. L.. "". . p. 2339 - 2344. Retrieved 1989.
• 2、 Gumerova, Sumbela K.,Kushnazarova, Rushana A.,Kuznetsov, Denis M.,Lenina, Oxana A.,Mirgorodskaya, Alla B.,Nikitin, Eugeny N.,Tyryshkina, Anna A.,Voloshina, Alexandra D.,Zakharova, Lucia Ya.. "Modulation of aggregation behavior, antimicrobial properties and catalytic activity of piperidinium surfactants by modifying their head group with a polar fragment". . . Retrieved 2021/06/21.
• 3、 Herzog, Antonia,Bergmann, Arno,Jeon, Hyo Sang,Timoshenko, Janis,Kühl, Stefanie,Rettenmaier, Clara,Lopez Luna, Mauricio,Haase, Felix T.,Roldan Cuenya, Beatriz. "Operando Investigation of Ag-Decorated Cu2O Nanocube Catalysts with Enhanced CO2 Electroreduction toward Liquid Products". supporting information. p. 7426 - 7435. Retrieved 2021/02/26.