3,3-Dimethylheptane

Base Information

• Chemical Name: 3,3-Dimethylheptane
• CAS No.: 4032-86-4
• Molecular Formula: C9H20
• Molecular Weight: 128.258
• Hs Code.: 2901100000
• European Community (EC) Number: 621-870-3
• DSSTox Substance ID: DTXSID1074709
• Nikkaji Number: J121.186B
• Wikidata: Q2815976
• Mol file: 4032-86-4.mol

Synonyms:3,3-Dimethylheptane;4032-86-4;Heptane, 3,3-dimethyl-;3,3-Dimethylheptane,99%;3,3-dimethyl-heptane;3.3-Dimethyl heptane;DTXSID1074709;MFCD00048811;D1206;FT-0769669;D89811;Q2815976

Chemical Property of 3,3-Dimethylheptane

Chemical Property:

• Vapor Pressure: 8.88mmHg at 25°C
• Melting Point: -102.17°C (estimate)
• Refractive Index: 1.408
• Boiling Point: 137.1 °C at 760 mmHg
• Flash Point: 27.2 °C
• PSA: 0.00000
• Density: 0.724 g/cm³
• LogP: 3.61280
• Solubility.: soluble in Ether,Alcohol,Benzene,Acetone
• Water Solubility.: 302.8ug/L(temperature not stated)
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 128.156500638
• Heavy Atom Count: 9
• Complexity: 62.4

Purity/Quality:

98% ^*data from raw suppliers

3,3-Dimethylheptane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,3-Dimethylheptane

There total 2 articles about 3,3-Dimethylheptane 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: 33.0%

2-methyl-2-butylchloride (594-36-5) → methylbutane (78-78-4) + 3,3-dimethyl-heptane (4032-86-4) + 2,3-dimethylheptane (3074-71-3)

Guidance literature:

With aluminium trichloride; tetrabutylsilane; In dichloromethane; for 0.25h; Title compound not separated from byproducts; Ambient temperature;

Reference yield: 27.0%

2-methyl-2-butylchloride (594-36-5) + tetrabutylsilane (994-79-6) → methylbutane (78-78-4) + 3,3-dimethyl-heptane (4032-86-4) + 2,3-dimethylheptane (3074-71-3)

Guidance literature:

With aluminium trichloride; In dichloromethane; for 0.25h; Title compound not separated from byproducts; Ambient temperature;

Reference yield:

3,3-dimethyl-heptane (4032-86-4) → 2,2-dimethylhexane (590-73-8) + 3,3-dimethylhexane (563-16-6) + methane (34557-54-5,27936-85-2)

Guidance literature:

With Ru/CeO₂; hydrogen; at 239.84 ℃; for 1h; under 45004.5 Torr;

DOI:10.1002/cctc.201700200

upstream raw materials:

2-methyl-2-butylchloride

tetrabutylsilane

Downstream raw materials:

2,2-dimethylhexane

3,3-dimethylhexane

methane

Refernces