Peroxyoctanoic acid

Base Information

• Chemical Name: Peroxyoctanoic acid
• CAS No.: 33734-57-5
• Molecular Formula: C8H16 O3
• Molecular Weight: 160.213
• Hs Code.: 2918300090
• UNII: U1654TA1CQ
• DSSTox Substance ID: DTXSID7074618
• Nikkaji Number: J110.168D
• Wikidata: Q27290547
• Metabolomics Workbench ID: 45748
• Mol file: 33734-57-5.mol

Synonyms:peroxyoctanoic acid;Octaneperoxoic Acid;33734-57-5;peroctanoic acid;UNII-U1654TA1CQ;U1654TA1CQ;percaprylic acid;PEROXYCAPRYLIC ACID;Octaneperoxoic acid, 9CI;SCHEMBL28012;DTXSID7074618;CHEBI:173699;Q27290547

Chemical Property of Peroxyoctanoic acid

Chemical Property:

• Vapor Pressure: 0.00875mmHg at 25°C
• Refractive Index: 1.438
• Boiling Point: 236.1°C at 760 mmHg
• Flash Point: 86.4°C
• PSA: 46.53000
• Density: 0.991g/cm³
• LogP: 2.36310
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 160.109944368
• Heavy Atom Count: 11
• Complexity: 102

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(=O)OO

Technology Process of Peroxyoctanoic acid

There total 6 articles about Peroxyoctanoic 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:

Reference yield: 60.0%

Octanoic acid (124-07-2) → peroxyoctanoic acid (33734-57-5)

Guidance literature:

With dihydrogen peroxide; In sulfuric acid; for 1h;

Reference yield: 5.8%

glycerin monocaprylate (4228-48-2) → peroxyoctanoic acid (33734-57-5)

Guidance literature:

With water; dihydrogen peroxide; sodium hydroxide; for 0.0833333h;

Reference yield:

triacetylglycerol (102-76-1) + sorbitan monooctanoate → peracetic acid (79-21-0) + peroxyoctanoic acid (33734-57-5)

Guidance literature:

With water; dihydrogen peroxide; sodium hydroxide; pH=>~12;

upstream raw materials:

Octanoic acid

Octanal

triacetylglycerol

glycerin monocaprylate

Downstream raw materials:

Octanoic acid

Tributyl(octanoyloxy)stannane

Refernces

• 1、 Nedelec,Lefort. "". . p. 411,413-415, 417. Retrieved 1975.
• 2、 Steimer, Sarah S.,Kourtchev, Ivan,Kalberer, Markus. "Mass spectrometry characterization of peroxycarboxylic acids as proxies for reactive oxygen species and highly oxygenated molecules in atmospheric aerosols". . p. 2873 - 2879. Retrieved 2017/04/13.
• 3、 Dutka,Zagorskaya,Dutka, Yu. V.,Savitskaya. "Thermal decomposition of aliphatic peroxy acids". experimental part. p. 353 - 357. Retrieved 2011/08/05.