2,2,3-Trimethylhexane

Base Information

• Chemical Name: 2,2,3-Trimethylhexane
• CAS No.: 16747-25-4
• Molecular Formula: C9H20
• Molecular Weight: 128.258
• European Community (EC) Number: 240-806-1
• DSSTox Substance ID: DTXSID20274842
• Nikkaji Number: J44.166J
• Wikidata: Q2813761
• Mol file: 16747-25-4.mol

Synonyms:2,2,3-TRIMETHYLHEXANE;16747-25-4;Pentane, tetramethyl-;Hexane, 2,2,3-trimethyl-;EINECS 240-806-1;2,2,3-trimethyl-hexane;tetramethylpentane;2,2,3-Trimethyl hexane;DTXSID20274842;AKOS006275688;FT-0694421;1,3,5-tetramethyl-alpha-1H-Pyrazole-4-methanamine;Q2813761

Chemical Property of 2,2,3-Trimethylhexane

Chemical Property:

• Vapor Pressure: 10.3mmHg at 25°C
• Melting Point: -119.99°C
• Refractive Index: n20/D 1.403
• Boiling Point: 133.7°Cat760mmHg
• Flash Point: 25.4°C
• PSA: 0.00000
• Density: 0.722g/cm³
• LogP: 3.46870
• Water Solubility.: 362.3ug/L(temperature not stated)
• 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: 66.6

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Hazard Codes: F
• Statements: 11
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CCCC(C)C(C)(C)C

Technology Process of 2,2,3-Trimethylhexane

There total 4 articles about 2,2,3-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:

2-tert-butyl-pent-1-en-3-yne (2809-73-6) → 2,2,3-trimethylhexane (16747-25-4)

Guidance literature:

With hydrogen; platinum; In ethanol;

Reference yield:

2-(tert-butyl)-but-1-en-3-yne (2809-84-9) → 2,2,3-trimethylhexane (16747-25-4)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) Na, liq. NH₃, (ii) /BRN= 635994/

2: H₂ / Pt / ethanol

With hydrogen; platinum; In ethanol;

Reference yield:

2,2,3-trimethylhex-4-yn-3-ol (5187-21-3) → 2,2,3-trimethylhexane (16747-25-4)

Guidance literature:

Multi-step reaction with 2 steps

1: (dehydration)

2: H₂ / Pt / ethanol

With hydrogen; platinum; In ethanol;

upstream raw materials:

2-tert-butyl-pent-1-en-3-yne

2-(tert-butyl)-but-1-en-3-yne

2,2,3-trimethylhex-4-yn-3-ol

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