2,4,4-Trimethylhexane

Base Information

• Chemical Name: 2,4,4-Trimethylhexane
• CAS No.: 16747-30-1
• Molecular Formula: C9H20
• Molecular Weight: 128.258
• European Community (EC) Number: 240-809-8
• DSSTox Substance ID: DTXSID90168289
• Nikkaji Number: J44.169D
• Wikidata: Q83037854
• Mol file: 16747-30-1.mol

Synonyms:2,4,4-TRIMETHYLHEXANE;16747-30-1;Hexane,2,4,4-trimethyl-;Hexane, 2,4,4-trimethyl-;EINECS 240-809-8;2,4,4-trimethyl-hexane;2,4,4-Trimethyl hexane;DTXSID90168289;AKOS006272669;FT-0691404;3,3,5,5-TETRA(TERT-BUTYL)[1,1-BIPHENYL]-4,4-DIOL

Chemical Property of 2,4,4-Trimethylhexane

Chemical Property:

• Vapor Pressure: 12.3mmHg at 25°C
• Melting Point: -113.37°C
• Refractive Index: 1.4052
• Boiling Point: 129.6°Cat760mmHg
• Flash Point: 23.1°C
• PSA: 0.00000
• Density: 0.722g/cm³
• LogP: 3.46870
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 128.156500638
• Heavy Atom Count: 9
• Complexity: 70.1

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C)CC(C)C

Technology Process of 2,4,4-Trimethylhexane

There total 7 articles about 2,4,4-Trimethylhexane 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:

tert-Amyl alcohol (75-85-4) + sulfuric acid (7664-93-9) + tert-butyl alcohol (75-65-0) → 2,4,4-trimethyl-hexane (16747-30-1) + 2,2,4-trimethylhexane (16747-26-5) + 2,2,3,4-tetramethylpentane (1186-53-4) + 2,3,3,4-tetramethyl-pentane (16747-38-9)

Guidance literature:

entstehen Nonenen, das bei der Hydrierung an Nickel unter Zusatz von Wasser bei 160grad;

Reference yield:

2-methyl-but-2-ene (513-35-9) + isobutene (115-11-7,15220-85-6) → 2,4,4-trimethyl-hexane (16747-30-1)

Guidance literature:

With aluminum oxide; silica gel; at 112 ℃; under 25742.8 Torr;

Reference yield:

tert-Amyl alcohol (75-85-4) → 2,4,4-trimethyl-hexane (16747-30-1)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂SO₄

2: Al₂O₃+SiO₂ / 112 °C / 25742.8 Torr

With aluminum oxide; sulfuric acid; silica gel;

upstream raw materials:

2,4,4-trimethyl-hexa-1,5-diene

2,4,4-trimethyl-hex-2-ene

2-methyl-but-2-ene

isobutene