Tert-butyl 3,5,5-trimethylhexaneperoxoate

Base Information

Chemical Name:Tert-butyl 3,5,5-trimethylhexaneperoxoate
CAS No.:13122-18-4
Deprecated CAS:153302-08-0
Molecular Formula:C₁₃H₂₆O₃
Molecular Weight:230.348
Hs Code.:2909.60
European Community (EC) Number:236-050-7
UN Number:3105
UNII:84TC2IY818
DSSTox Substance ID:DTXSID00276147,DTXSID40864365
Nikkaji Number:J4.395H
Wikidata:Q27269552
Mol file:13122-18-4.mol

Synonyms:tert-butyl 3,5,5-trimethylhexaneperoxoate;13122-18-4;tert-Butyl peroxy-3,5,5-trimethylhexanoate;tert-Butyl perisononanoate;Hexaneperoxoic acid, 3,5,5-trimethyl-, 1,1-dimethylethyl ester;tert-Butyl 3,5,5-trimethylperoxyhexanoate;84TC2IY818;EINECS 236-050-7;tert-butyl 3,5,5-trimethylhexanoylperoxide;TBPMH;TRIGONOX 42;PERBUTYL 355;LUPEROX 270;SCHEMBL210898;UNII-84TC2IY818;DTXSID00276147;DTXSID40864365;t-Butyl 3,5,5-trimethylperoxyhexanoate;LS-186264;EC 236-050-7;Q27269552;PEROXYHEXANOIC ACID, 3,5,5-TRIMETHYL-, TERT-BUTYL ESTER;153302-08-0

Suppliers and Price of Tert-butyl 3,5,5-trimethylhexaneperoxoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 18 raw suppliers

Chemical Property of Tert-butyl 3,5,5-trimethylhexaneperoxoate

Chemical Property:

Appearance/Colour:Clear liquid
Vapor Pressure:3Pa at 30.05℃
Melting Point:-30 °C
Refractive Index:1.4295 - 1.4315
Boiling Point:258.6 °C at 760 mmHg
Flash Point:70.8 °C
PSA：35.53000
Density:0.897g/cm³
LogP:3.72210
Storage Temp.:Refrigerator (+4°C)
Water Solubility.:partly miscible
XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:230.18819469
Heavy Atom Count:16
Complexity:220
Transport DOT Label:Organic Peroxide

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s): OXi
Hazard Codes:Xi-O,Xi,O
Statements: 7-38
Safety Statements: 36/37/39-3/7-26-14A

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Tert-butyl 3,5,5-trimethylhexaneperoxoate

There total 1 articles about Tert-butyl 3,5,5-trimethylhexaneperoxoate 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: 98.2%

: 75-91-2
tert.-butylhydroperoxide

: 36727-29-4
isononanoyl chloride

: 13122-18-4
tert-butyl peroxy-3,5,5-trimethylhexanoate

Guidance literature:: With potassium hydroxide; In water; at 25 ℃;

Reference yield: 51.0%

: 100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6
styrene

: 13122-18-4
tert-butyl peroxy-3,5,5-trimethylhexanoate

: ((E)-4,6,6-Trimethyl-hept-1-enyl)-benzene

Guidance literature:: With iron(III) trifluoromethanesulfonate; In tetrahydrofuran; at 100 ℃; for 5h; diastereoselective reaction; Schlenk technique; Inert atmosphere;
DOI:10.1002/asia.201800534