N-Propyl hydroperoxide

Base Information

• Chemical Name: N-Propyl hydroperoxide
• CAS No.: 6068-96-8
• Molecular Formula: C3H8O2
• Molecular Weight: 76.0953
• Hs Code.: 2909600000
• DSSTox Substance ID: DTXSID00209495
• Nikkaji Number: J831.432B
• Wikidata: Q83068560,Q83083799
• Mol file: 6068-96-8.mol

Synonyms:N-Propyl hydroperoxide;6068-96-8;Propylhydroperoxide;CCRIS 4488;oxypropylate;hydroxypropyl ether;DTXSID00209495

Chemical Property of N-Propyl hydroperoxide

Chemical Property:

• Vapor Pressure: 9.01mmHg at 25°C
• Boiling Point: 116.6°Cat760mmHg
• Flash Point: 24.3°C
• PSA: 29.46000
• Density: 0.928g/cm³
• LogP: 0.88600
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 76.052429494
• Heavy Atom Count: 5
• Complexity: 14.4

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOO

Technology Process of N-Propyl hydroperoxide

There total 13 articles about N-Propyl 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: 28.0%

1-iodo-propane (107-08-4) → n-propyl hydroperoxide (6068-96-8,95507-80-5)

Guidance literature:

With dihydrogen peroxide; silver trifluoroacetate; In dichloromethane; at 0 ℃;

DOI:10.1021/ja9814873

Reference yield:

propane (74-98-6) → propan-1-ol (71-23-8) + 2-hydroperoxypropane (3031-75-2) + n-propyl hydroperoxide (6068-96-8,95507-80-5) + propionaldehyde (123-38-6) + isopropyl alcohol (67-63-0,8013-70-5) + acetone (67-64-1)

Guidance literature:

With air; tris(μ-oxo)di[(1,4,7-trimethyl-1,4,7-triazanonane)manganese(IV)] hexafluorophosphate; dihydrogen peroxide; acetic acid; In acetonitrile; at 20 ℃; for 20h; under 750.06 Torr; Product distribution; Mechanism; various conditions;

DOI:10.1016/S0040-4020(99)00233-1

Reference yield:

n-butoxy radical (19062-98-7) → 2,3-dihydro-2H-furan (1191-99-7,75454-45-4) + 4-butanolide (96-48-0) + n-propyl hydroperoxide (6068-96-8,95507-80-5) + 2-Methoxypropene (116-11-0) + butyraldehyde (123-72-8) + butan-1-ol (71-36-3)

Guidance literature:

With oxygen; at 69.9 - 229.9 ℃; Product distribution; Rate constant; Thermodynamic data; flow and static experiments; isomerization reactions in oxygen; oxidation, isomerization and decomposition; effect of reaction vessel wall conditions; reaction mechanism;

DOI:10.1002/(sici)1097-4601(1996)28:7<531::aid-kin5>3.3.co;2-p

upstream raw materials:

di-1-propyl sulfate

propyl methanesulfonate

Trimethylsilyl(n-propyl)peroxomonosulfat

n-butoxy radical

Downstream raw materials:

propan-1-ol

ethane

propane

propionaldehyde

Refernces

• 1、 Hasson, Alam S.,Tyndall, Geoffrey S.,Orlando, John J.,Singh, Sukhdeep,Hernandez, Samuel Q.,Campbell, Sean,Ibarra, Yesenia. "Branching ratios for the reaction of selected carbonyl-containing peroxy radicals with hydroperoxy radicals". experimental part. p. 6264 - 6281. Retrieved 2012/08/28.
• 2、 Shul'pin, Georgiy B.,Suess-Fink, Georg,Lindsay Smith, John R.. "Oxidations by the system 'hydrogen peroxide-manganese(IV) complex- acetic acid' - Part II: Hydroperoxidation and hydroxylation of alkanes in acetonitrile". . p. 5345 - 5358. Retrieved 2007/10/03.