tert-Butyl octaneperoxoate

Base Information

• Chemical Name: tert-Butyl octaneperoxoate
• CAS No.: 13467-82-8
• Deprecated CAS: 88528-50-1
• Molecular Formula: C12H24 O3
• Molecular Weight: 216.321
• Hs Code.: 2918300090
• European Community (EC) Number: 236-720-9
• NSC Number: 615453
• UNII: E79P30T9E2
• DSSTox Substance ID: DTXSID4065490
• Nikkaji Number: J4.396F
• Wikidata: Q27276963
• Mol file: 13467-82-8.mol

Synonyms:tert-Butyl octaneperoxoate;tert-Butyl peroctoate;Kayaester O;tert-Butyl percaprylate;Kayaester O 50;13467-82-8;tert-Butyl peroctanoate;tert-Butyl peroxyoctoate;Octaneperoxoic acid, 1,1-dimethylethyl ester;tert-Butyl peroxyoctanoate;Peroxyoctanoic acid, tert-butyl ester;EINECS 236-720-9;BRN 1908625;UNII-E79P30T9E2;E79P30T9E2;NSC-615453;LUPERSOL TBPO;t-butyl peroxyoctanoate;t-Butyl peroxyeoctanoate;SCHEMBL81138;tert-Butyl octaneperoxoate #;DTXSID4065490;BUTYL PEROCTANOATE, TERT-;NSC615453;LS-97928;Q27276963

Chemical Property of tert-Butyl octaneperoxoate

Chemical Property:

• Vapor Pressure: 0.0181mmHg at 25°C
• Refractive Index: 1.43
• Boiling Point: 253.6°C at 760 mmHg
• Flash Point: 74.6°C
• PSA: 35.53000
• Density: 0.914g/cm³
• LogP: 3.62020
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 216.17254462
• Heavy Atom Count: 15
• Complexity: 170

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(=O)OOC(C)(C)C

Technology Process of tert-Butyl octaneperoxoate

There total 3 articles about tert-Butyl octaneperoxoate 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.-butylhydroperoxide (75-91-2) + n-octanoic acid chloride (111-64-8) → tert-butyl peroctoate (13467-82-8)

Guidance literature:

With pyridine; In hexane; for 7h; Ambient temperature;

Reference yield:

tert.-butylhydroperoxide (75-91-2) + 8,9-dioxohexadecane (18229-29-3) → Octanal (124-13-0) + Octanoic acid (124-07-2) + tert-butyl peroctoate (13467-82-8) + octanoic acid anhydride (623-66-5) + 9-Hydroxy-9-terc-butylperoxy-8-hexadecanone (139578-55-5)

Guidance literature:

In cyclohexane; at 23 ℃; Product distribution; Rate constant;

Reference yield:

→ tert-butyl peroctoate (13467-82-8)

Guidance literature:

tert-butyl-hydroperoxid, R-COOH (R=C7H15), Katalysatorsaeure;

upstream raw materials:

tert.-butylhydroperoxide

8,9-dioxohexadecane

n-octanoic acid chloride

Downstream raw materials:

(3-Acetoxy-3-cyano-propyl)-phenylphosphinic acid ethyl ester

Refernces

• 1、 Gol'dman, O. V.,Perkel', A. L.,Smirnova, T. Ya.,Freidin, B. G.. "TRANSFORMATION OF HIGHER α-DIKETONES UNDER THE INFLUENCE OF SOME PEROXIDE PRODUCTS FROM THE OXIDATION OF ALKANES". . p. 1694 - 1699. Retrieved 2007/10/02.