1,1,3,3-Tetramethylbutyl hydroperoxide

Base Information

• Chemical Name: 1,1,3,3-Tetramethylbutyl hydroperoxide
• CAS No.: 5809-08-5
• Molecular Formula: C8H18 O2
• Molecular Weight: 146.23
• European Community (EC) Number: 227-369-2
• UN Number: 3105
• DSSTox Substance ID: DTXSID3064011
• Nikkaji Number: J1.272F
• Wikidata: Q81991168
• Mol file: 5809-08-5.mol

Synonyms:1,1,3,3-Tetramethylbutyl hydroperoxide;5809-08-5;2-hydroperoxy-2,4,4-trimethylpentane;Hydroperoxide, 1,1,3,3-tetramethylbutyl;SCHEMBL75111;DTXSID3064011;EINECS 227-369-2;AKOS006278788;EC 227-369-2;A831734;ethyl (2E)-2-[(4-nitrophenyl)hydrazono]-3-oxo-3-(5-oxo-[1,3,4]thiadiazolo[3,2-a]quinazolin-2-yl)propanoate

Chemical Property of 1,1,3,3-Tetramethylbutyl hydroperoxide

Chemical Property:

• Vapor Pressure: 5.98E-17mmHg at 25°C
• Boiling Point: 197.7°Cat760mmHg
• PKA: 12.71±0.50(Predicted)
• Flash Point: 73.4°C
• PSA: 29.46000
• Density: 0.888g/cm³
• LogP: 2.69080
• Water Solubility.: 2.8g/L at 20℃
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 146.130679813
• Heavy Atom Count: 10
• Complexity: 100
• Transport DOT Label: Organic Peroxide

Purity/Quality:

99.9% ^*data from raw suppliers

1,1,3,3-TETRAMETHYLBUTYL HYDROPEROXIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)CC(C)(C)OO

Technology Process of 1,1,3,3-Tetramethylbutyl hydroperoxide

There total 6 articles about 1,1,3,3-Tetramethylbutyl 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: 76.4%

2,4,4-trimethyl-2-pentanol (690-37-9) → 1,1,3,3-tetramethylbutyl hydroperoxide (5809-08-5)

Guidance literature:

With sulfuric acid; dihydrogen peroxide; In water; at 5 - 110 ℃; for 0.0533333h; Temperature; Flow reactor;

Reference yield:

2,2,4-trimethylpentane (540-84-1) → 1,1,3,3-tetramethylbutyl hydroperoxide (5809-08-5)

Guidance literature:

With sulfuric acid; dihydrogen peroxide; In water;

DOI:10.1021/ja00897a013

Reference yield:

2,4,4-trimethyl-1-pentene (107-39-1) → 1,1,3,3-tetramethylbutyl hydroperoxide (5809-08-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 65percent H₂O₂ / H₂O / 0 - 5 °C

2: 50percent H₂O₂ / H₂O

With dihydrogen peroxide; In water;

DOI:10.1246/bcsj.61.1641

upstream raw materials:

2,2,4-trimethylpentane

2,4,4-trimethyl-2-pentanol

2,4,4-trimethyl-1-pentene

Downstream raw materials:

2,4,4-trimethyl-2-pentanol

2-neopentyl-2-propyl peroxypivalate

t-butyl 1,1,3,3-tetramethylbutyl peroxide