3-Pentyl hydroperoxide

Base Information

• Chemical Name: 3-Pentyl hydroperoxide
• CAS No.: 24254-57-7
• Molecular Formula: C5H12 O2
• Molecular Weight: 104.149
• Hs Code.: 2909600000
• DSSTox Substance ID: DTXSID60178951
• Nikkaji Number: J139.549A
• Wikidata: Q83049463
• Mol file: 24254-57-7.mol

Synonyms:3-Pentyl hydroperoxide;24254-57-7;Hydroperoxide, 1-ethylpropyl;3-amyl hydroperoxide;SCHEMBL12464949;DTXSID60178951

Chemical Property of 3-Pentyl hydroperoxide

Chemical Property:

• Vapor Pressure: 1.28mmHg at 25°C
• Boiling Point: 152.8°C at 760 mmHg
• Flash Point: 46.2°C
• PSA: 29.46000
• Density: 0.903g/cm³
• LogP: 1.66460
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 104.083729621
• Heavy Atom Count: 7
• Complexity: 33.1

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)OO

Technology Process of 3-Pentyl hydroperoxide

There total 4 articles about 3-Pentyl 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:

pentane (109-66-0,8031-35-4,9078-70-0) → (+/-)-2-pentanol (6032-29-7,13403-73-1) + 2-pentanol (584-02-1) + 1-ethyl-propyl hydroperoxide (24254-57-7) + hydroperoxide, 1-methylbutyl (14018-58-7) + 2-Pentanone (107-87-9) + pentan-3-one (96-22-0)

Guidance literature:

With 2,5-Dimethyl-1,4-benzoquinone; oxygen; In neat liquid; at 24.84 ℃; Quantum yield; Kinetics; Irradiation; Green chemistry;

DOI:10.1039/c6pp00102e

Reference yield:

methanesulfonic acid 1-ethylpropyl ester (4358-72-9) → 1-ethyl-propyl hydroperoxide (24254-57-7)

Guidance literature:

With potassium hydroxide; dihydrogen peroxide;

DOI:10.1021/ja01640a036

Reference yield:

2-pentanol (584-02-1) → 1-ethyl-propyl hydroperoxide (24254-57-7)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 0 °C

2: aqueous methanol.KOH-solution; aqueous hydrogen peroxide

With pyridine; potassium hydroxide; dihydrogen peroxide;

DOI:10.1021/ja01640a036

upstream raw materials:

methanesulfonic acid 1-ethylpropyl ester

pentane

2-pentanol