tert-Amyl peroxy-2-ethylhexanoate

Base Information

• Chemical Name: tert-Amyl peroxy-2-ethylhexanoate
• CAS No.: 686-31-7
• Molecular Formula: C13H26O3
• Molecular Weight: 230.348
• European Community (EC) Number: 211-687-3
• UN Number: 3115
• UNII: 0JW5261S8T
• DSSTox Substance ID: DTXSID60862368
• Nikkaji Number: J69.552A
• Wikidata: Q27236875
• Mol file: 686-31-7.mol

Synonyms:tert-Amyl peroxy-2-ethylhexanoate;686-31-7;2-methylbutan-2-yl 2-ethylhexaneperoxoate;t-Amylperoxy 2-ethylhexanoate;Hexaneperoxoic acid, 2-ethyl-, 1,1-dimethylpropyl ester;tert-Pentyl 2-ethylperoxyhexanoate;0JW5261S8T;EINECS 211-687-3;EC 211-687-3;t-Amyl Peroxy 2-ethylhexanoate [2];SCHEMBL218700;UNII-0JW5261S8T;DTXSID60862368;NA2898;t-Amyl Peroxy 2-ethylhexanoate [1];TERT-AMYL 2-ETHYLPERHEXANOATE;UN2898;TERT-AMYL 2-ETHYLPEROXYHEXANOATE;2-Ethylhexaneperoxoic acid tert-amyl ester;TERT-PENTYL PEROXY-2-ETHYLHEXANOATE;A9262;Q27236875

Chemical Property of tert-Amyl peroxy-2-ethylhexanoate

Chemical Property:

• Appearance/Colour: Colorless to pale yellow liquid
• Vapor Pressure: 0.00807mmHg at 25°C
• Melting Point: -62oC
• Refractive Index: 1.431
• Boiling Point: 277.8 °C at 760 mmHg
• Flash Point: 112.8 °C
• PSA: 35.53000
• Density: 0.948 g/cm³
• LogP: 3.86620
• Water Solubility.: 17.6mg/L at 20℃
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 230.18819469
• Heavy Atom Count: 16
• Complexity: 199
• Transport DOT Label: Organic Peroxide

Purity/Quality:

99%, ^*data from raw suppliers

TERT-AMYL PEROXY-2-ETHYLHEXANOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)C(=O)OOC(C)(C)CC

Technology Process of tert-Amyl peroxy-2-ethylhexanoate

There total 1 articles about tert-Amyl peroxy-2-ethylhexanoate 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:

→ tert-amyl peroxy-2-ethylhexanoate (686-31-7)

Guidance literature:

2-Ethyl-capronsaeure-chlorid, tert-Pentylhydroperoxid, Triethylamin, Isopentan;

Reference yield:

tert-amyl peroxy-2-ethylhexanoate (686-31-7) → acetone (67-64-1)

Guidance literature:

In n-heptane; at 140 ℃; under 375030 Torr; Further Variations:; Temperatures; Pressures; Kinetics;

DOI:10.1524/zpch.217.9.1169.20402

Downstream raw materials:

acetone