2,4,6-Tri-sec-butylphenol

Base Information

• Chemical Name: 2,4,6-Tri-sec-butylphenol
• CAS No.: 5892-47-7
• Molecular Formula: C18H30 O
• Molecular Weight: 262.436
• European Community (EC) Number: 227-572-6
• DSSTox Substance ID: DTXSID70863644
• Nikkaji Number: J155.479D
• Mol file: 5892-47-7.mol

Synonyms:2,4,6-Tri-sec-butylphenol;5892-47-7;2,4,6-tri(butan-2-yl)phenol;Phenol, 2,4,6-tris(1-methylpropyl)-;EINECS 227-572-6;EC 227-572-6;2,4,6-tri-s-butylphenol;SCHEMBL1836944;DTXSID70863644;W-110067

Chemical Property of 2,4,6-Tri-sec-butylphenol

Chemical Property:

• Vapor Pressure: 0.000116mmHg at 25°C
• Boiling Point: 326.1°Cat760mmHg
• Flash Point: 146.9°C
• PSA: 20.23000
• Density: 0.912g/cm³
• LogP: 5.93270
• Water Solubility.: 790μg/L at 20℃
• XLogP3: 6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 262.229665576
• Heavy Atom Count: 19
• Complexity: 230

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C1=CC(=C(C(=C1)C(C)CC)O)C(C)CC

Technology Process of 2,4,6-Tri-sec-butylphenol

There total 7 articles about 2,4,6-Tri-sec-butylphenol 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:

4-sec-Butyl-2,6-bis-(1-methyl-allyl)-phenol (101886-62-8) → 2,4,6-tri-(sec-butyl)phenol (5892-47-7)

Guidance literature:

With palladium on activated charcoal; ethanol; Hydrogenation;

DOI:10.1039/jr9590004080

Reference yield:

4-sec-Butyl-2-(1-methyl-allyl)-phenol (107771-33-5) → 2,4,6-tri-(sec-butyl)phenol (5892-47-7)

Guidance literature:

Multi-step reaction with 3 steps

2: N,N-diethyl-aniline

3: palladium/charcoal; ethanol / Hydrogenation

With palladium on activated charcoal; ethanol; N,N-diethylaniline;

DOI:10.1039/jr9590004080

Reference yield:

but-2-enyl-[4-sec-butyl-2-(1-methyl-allyl)-phenyl]-ether (109068-15-7) → 2,4,6-tri-(sec-butyl)phenol (5892-47-7)

Guidance literature:

Multi-step reaction with 2 steps

1: N,N-diethyl-aniline

2: palladium/charcoal; ethanol / Hydrogenation

With palladium on activated charcoal; ethanol; N,N-diethylaniline;

DOI:10.1039/jr9590004080

upstream raw materials:

4-sec-Butyl-2,6-bis-(1-methyl-allyl)-phenol

2-sec-butylphenol

2,4-di-(sec-butyl)phenol

butan-1-ol

Downstream raw materials:

2-sec-butylphenol

2,4-di-(sec-butyl)phenol

Refernces

• 1、 Verevkin, S. P.,Rozhnov, A. M.,Kashkarova, I. B.,Zimichev, A. V.. "PRINCIPLES OF ALKYLATION OF PHENOL BY n-BUTYLENES IN THE PRESENCE OF KU-23 SULFONATED CATION-EXCHANGER". . p. 1958 - 1961. Retrieved 2007/10/02.