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Peracetic Acid

Base Information
  • Chemical Name:Peracetic Acid
  • CAS No.:79-21-0
  • Deprecated CAS:89370-71-8,232259-02-8,232259-02-8
  • Molecular Formula:C2H4O3
  • Molecular Weight:76.052
  • Hs Code.:29159000
  • European Community (EC) Number:201-186-8
  • ICSC Number:1031
  • UN Number:3107,3105
  • UNII:I6KPI2E1HD
  • DSSTox Substance ID:DTXSID1025853
  • Nikkaji Number:J2.833I
  • Wikipedia:Peracetic_acid
  • Wikidata:Q375140
  • Metabolomics Workbench ID:44982
  • ChEMBL ID:CHEMBL444965
  • Mol file:79-21-0.mol
Peracetic Acid

Synonyms:Acetyl Hydroperoxide;Acid, Peracetic;Acid, Peroxyacetic;Acid, Peroxyethanoic;Desoxone 1;Desoxone-1;Desoxone1;Dialax;Peracetate, Sodium;Peracetate, Zinc;Peracetic Acid;Peracetic Acid, Sodium Salt;Peroxyacetic Acid;Peroxyethanoic Acid;Sodium Peracetate;Zinc Peracetate

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of Peracetic Acid
Chemical Property:
  • Appearance/Colour:colourless liquid with an acrid odour 
  • Vapor Pressure:7.91mmHg at 25°C 
  • Melting Point:- 44 °C 
  • Refractive Index:n20/D 1.391  
  • Boiling Point:119.123 °C at 760 mmHg 
  • PKA:8.2(at 25℃) 
  • Flash Point:54.931 °C 
  • PSA:46.53000 
  • Density:1.216 g/cm3 
  • LogP:0.02250 
  • Storage Temp.:2-8°C 
  • Water Solubility.:soluble, >=10 g/100 mL at 19 ºC 
  • XLogP3:-0.4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Rotatable Bond Count:1
  • Exact Mass:76.016043985
  • Heavy Atom Count:5
  • Complexity:40.2
  • Transport DOT Label:Organic Peroxide
Purity/Quality:
Safty Information:
  • Pictogram(s): OxidizingO,CorrosiveC,Dangerous
  • Hazard Codes:O,C,N 
  • Statements: 7-20/21/22-35-50-10-34-22-20 
  • Safety Statements: 26-36/37/39-45-61-3/7-23-14A-14-60-9-7-3 
MSDS Files:

SDS file from LookChem

Useful:
  • Chemical Classes:Other Classes -> Peroxides, Organic
  • Canonical SMILES:CC(=O)OO
  • Inhalation Risk:No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
  • Effects of Short Term Exposure:The substance is corrosive to the eyes, skin and respiratory tract. Corrosive on ingestion. Inhalation of high concentrations may cause lung oedema, but only after initial corrosive effects on the eyes and the upper respiratory tract have become manifest.
  • General Description Peroxyacetic acid (also known as peracetic acid) is a versatile oxidizing agent used in various chemical reactions, including the Baeyer-Villiger rearrangement for synthesizing γ-lactones and butenolides, where it demonstrates high efficiency and yield under optimized conditions. It also reacts with o-alkenylphenols to form products like 2-hydroxymethylcoumaran and 1-(o-hydroxyphenyl)-2-propanone, clarifying previously misunderstood reaction mechanisms. Its applications span organic synthesis, disinfection, and industrial processes, often under trade names such as Proxitane, Tsunami, and Steridial P.
Technology Process of Peracetic Acid

There total 115 articles about Peracetic Acid 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:
Guidance literature:
With KU-2 cation exchanger; dihydrogen peroxide; In 1,4-dioxane; at 30 ℃; for 3h;
DOI:10.1134/S1070428007110097
Guidance literature:
With sulfuric acid; dihydrogen peroxide; In water; at 30 - 70 ℃; for 0.0533333h; Flow reactor;
Guidance literature:
With dihydrogen peroxide; cation exchanger KU-2 x 8; In 1,4-dioxane; at 29.9 ℃; Rate constant; Kinetics; Equilibrium constant; other temperature, other ratio;
Refernces

Functionalized tetradentate ligands for Ru-sensitized solar cells

10.1016/S0040-4020(01)00801-8

The study focuses on the synthesis of functionalized tetradentate ligands for use in Ru-sensitized solar cells, aiming to improve light absorption and prevent cis-isomerization. Key chemicals used include 6,6'-bis(1-H-benzimidazol-2-yl)-4,4'-bis(methoxycarbonyl)-2,2'-bipyridine and a series of new quaterpyridines as tetradentate ligands, along with various reagents such as peracetic acid, dimethyl sulfate, potassium cyanide, and o-phenylenediamine dihydrochloride. These chemicals serve to construct and modify the ligands through a series of reactions, with the goal of creating stable trans-complexes that enhance the efficiency of solar cells by shifting the lowest energy MLCT band and improving light absorption.

Preparation of Some Simple Structural Analogs of Khellin

10.1021/jo01091a006

The research encompasses two distinct studies. The first study aims to synthesize simple structural analogs of khellin, a compound with known physiological activity, to further explore its chemistry and potential applications. Key chemicals used in this study include 2,3,4,6-tetramethoxy-3-ethylacetophenone (VI), 2-hydroxy-3,4,6-trimethoxy-5-ethylacetophenone (V), and various reagents such as copper-chromium oxide catalyst, dimethyl sulfate, acetyl chloride, aluminum chloride, and piperonal. The second study investigates the reaction of o-alkenylphenols with peracetic acid to understand the products and mechanisms involved. Key chemicals used in this study include o-allylphenol, o-propenylphenol, peracetic acid, acetic anhydride, and sulfuric acid. The study concludes that the product from o-allylphenol is 2-hydroxymethylcoumaran, not the previously reported epoxide, and that the product from o-propenylphenol is 1-(o-hydroxyphenyl)-2-propanone, formed through a different mechanism than previously thought. This research provides a clearer understanding of the reactions involving o-alkenylphenols and peracetic acid, correcting and expanding upon earlier findings.

Facile and efficient synthesis of γ-lactone and butenolide derivatives

10.1080/00397911.2010.527421

The research aims to develop a novel and efficient method for synthesizing γ-lactone, keto-d-lactone, and butenolide derivatives through the Baeyer–Villiger rearrangement of cyclobutanones. These compounds are significant due to their widespread presence in nature and potential biological activities, making them valuable as intermediates in the synthesis of complex natural products. The study explores the Baeyer–Villiger rearrangement conditions using various cyclobutanones, identifying that freshly prepared peracetic acid with sodium acetate in refluxing CHCl3 provides excellent conversion and good yields. The researchers also developed a one-pot synthesis of keto-d-lactone from the rearrangement products using p-TsOH in refluxing benzene. Additionally, they synthesized butenolide derivatives through a series of reactions involving lithium diisopropylamide (LDA) and PhSeCl, followed by hydrogen peroxide treatment. The study concludes that this method offers a facile and efficient route for the synthesis of these important chemical structures, with potential applications in the total synthesis of natural products like stryllactone. Key chemicals used in the research include cyclobutanone derivatives, peracetic acid, sodium acetate, p-TsOH, NaBH4, LDA, PhSeCl, and hydrogen peroxide.