Octyl hydroperoxide

Base Information

• Chemical Name: Octyl hydroperoxide
• CAS No.: 7530-07-6
• Molecular Formula: C₁₆H₃₄O₂
• Molecular Weight: 146.23
• Nikkaji Number: J49.987K
• Wikidata: Q27109890
• Metabolomics Workbench ID: 53984
• Mol file: 7530-07-6.mol

Synonyms:Octyl hydroperoxide;Octane hydroperoxide;n-Octyl hydroperoxide;1-Octyl hydroperoxide;octaneperoxol;1-hydroperoxyoctane;7530-07-6;n-Octylhydroperoxid;SCHEMBL2143295;CHEBI:25644;Q27109890

Chemical Property of Octyl hydroperoxide

Chemical Property:

• Vapor Pressure: 0.02mmHg at 25°C
• Refractive Index: 1.4770 (estimate)
• Boiling Point: 223.341°C at 760 mmHg
• Flash Point: 88.874°C
• PSA: 18.46000
• Density: 0.889g/cm³
• LogP: 5.65560
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 146.130679813
• Heavy Atom Count: 10
• Complexity: 55.2

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCOO

Technology Process of Octyl hydroperoxide

There total 11 articles about Octyl hydroperoxide 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: 87.0%

2-methoxyprop-2-yl-oct-1-yl-peroxide (150615-65-9) → octyl hydroperoxide (7530-07-6)

Guidance literature:

With acetic acid;

DOI:10.1016/S0014-827X(02)01238-7

Reference yield:

n-octyl methanesulfonate (16156-52-8) → octyl hydroperoxide (7530-07-6)

Guidance literature:

With potassium hydroxide; dihydrogen peroxide;

DOI:10.1021/ja01640a036

Reference yield:

octanol (111-87-5) → octyl hydroperoxide (7530-07-6)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 0 °C

2: aqueous methanol. KOH-solution; hydrogen peroxide

With pyridine; potassium hydroxide; dihydrogen peroxide;

DOI:10.1021/ja01640a036

upstream raw materials:

n-octyl methanesulfonate

trioctylborane

4-Brom-benzolsulfonsaeure-octylester

n-octylmagnesium chloride

Downstream raw materials:

(2S)-benzyl 2-(tert-butoxycarbonylamino)-5-(octylperoxy)-5-oxopentanoate

octanol

1-Decanol

1,4-octanediol