2,2,3,3-Tetramethylbutane

Base Information

• Chemical Name: 2,2,3,3-Tetramethylbutane
• CAS No.: 594-82-1
• Molecular Formula: C8H18
• Molecular Weight: 114.231
• European Community (EC) Number: 209-855-6
• NSC Number: 62039
• UNII: EB34RI15NY
• DSSTox Substance ID: DTXSID9073204
• Nikkaji Number: J44.108B
• Wikipedia: Tetramethylbutane
• Wikidata: Q416165
• Mol file: 594-82-1.mol

Synonyms:2,2,3,3-TETRAMETHYLBUTANE;Hexamethylethane;594-82-1;Ethane, hexamethyl-;Butane, 2,2,3,3-tetramethyl-;Tetramethylbutane;NSC 62039;UNII-EB34RI15NY;EB34RI15NY;2,2,3,3-tetramethyl-butane;EINECS 209-855-6;NSC-62039;NSC62039;2,3,3-Tetramethylbutane;Butane,2,3,3-tetramethyl-;DTXSID9073204;(CH3)3CC(CH3)3;MFCD00008849;AKOS015841161;2,2,3,3-Tetramethylbutane, >=94%;FT-0609086;T0142;Q416165

Chemical Property of 2,2,3,3-Tetramethylbutane

Chemical Property:

• Appearance/Colour: colorless Solid
• Vapor Pressure: 33.2mmHg at 25°C
• Melting Point: 94-97 °C(lit.)
• Refractive Index: 1.401
• Boiling Point: 106.3 °C at 760 mmHg
• Flash Point: 4.4 °C
• PSA: 0.00000
• Density: 0.71g/cm³
• LogP: 3.07860
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 114.140850574
• Heavy Atom Count: 8
• Complexity: 55

Purity/Quality:

98%min ^*data from raw suppliers

2,2,3,3-Tetramethylbutane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F,N,Xn
• Statements: 10-67-65-50/53-38-11
• Safety Statements: 16-27-33-36-62-61-60-29-9

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CC(C)(C)C(C)(C)C
• Description: 2,2,3,3-Tetramethylbutane is a hydrocarbon and one of the isomers of octane. Octanes may be found in gasoline.

Technology Process of 2,2,3,3-Tetramethylbutane

There total 93 articles about 2,2,3,3-Tetramethylbutane 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: 80.0%

2-chloro-2,3,3-trimethyl-butane (918-07-0) + dimethyl zinc(II) (544-97-8) → tetramethyl-2,2,3,3 butane (594-82-1)

Guidance literature:

With zinc(II) chloride; In dichloromethane; at -50 - -20 ℃;

DOI:10.1039/c39800001202

Reference yield: 12.5%

trans-azocyclopropane (80201-75-8) → tetramethyl-2,2,3,3 butane (594-82-1) + 2,2,4-trimethylpentane (540-84-1) + ethane (74-84-0) + ethene (74-85-1) + cyclopropane (75-19-4) + isobutene (115-11-7,15220-85-6)

Guidance literature:

In various solvent(s); at 45 - 50 ℃; for 8h; under 700 Torr; Product distribution; Mechanism; Quantum yield; Irradiation; var. wavelengts, other solvents;

DOI:10.1021/jo00255a016

Reference yield: 3.44%

methane (34557-54-5,27936-85-2) → 3,3-dimethylpentane (562-49-2) + 2,2-dimethylhexane (590-73-8) + tetramethyl-2,2,3,3 butane (594-82-1) + 3-ethyl-3-methyl-pentane (1067-08-9) + tetraethylmethane (1067-20-5) + 2,2,3,3-tetramethyl-hexane (13475-81-5) + 2,4-dimethylhexane (589-43-5) + ethane (74-84-0) + propane (74-98-6) + Isobutane (75-28-5,40921-86-6) + 2,2-dimethylpropane (463-82-1) + methylbutane (78-78-4) + 2-Methylpentane (107-83-5) + 2,2-Dimethylbutane (75-83-2) + triptane (464-06-2) + 2,2-dimethylpentane (590-35-2) + 2,2,3,3-tetramethylpentane (7154-79-2) + hydrogen (1333-74-0)

Guidance literature:

With water; at 84 ℃; Product distribution / selectivity; Photolysis;

upstream raw materials:

3-methyl-butan-2-one

tert-butylmagnesium chloride

t-Butyl radical

diethyl ether

Downstream raw materials:

isobutyraldehyde

isobutene

propene

methane

Refernces

• 1、 Ramírez-Contreras, Rodrigo,Morandi, Bill. "Chemo- and Regioselective Functionalization of Polyols through Catalytic C(sp3)-C(sp3) Kumada-Type Coupling of Cyclic Sulfate Esters". supporting information. p. 3718 - 3721. Retrieved 2016/08/16.
• 2、 Iglesias, Mariangeles,Barreto, GastoN P.,Eyler, Gladys N.,Canizo, Adriana I.. "Thermal decomposition of cyclic organic peroxides in pure solvents and binary solvent mixtures". experimental part. p. 347 - 353. Retrieved 2011/07/29.