2,2-DIMETHYLHEXANE

Base Information

• Chemical Name: 2,2-DIMETHYLHEXANE
• CAS No.: 590-73-8
• Molecular Formula: C8H18
• Molecular Weight: 114.231
• European Community (EC) Number: 209-689-4
• NSC Number: 174065
• UNII: G1EH35W01H
• DSSTox Substance ID: DTXSID9073200
• Nikkaji Number: J43.422A
• Wikidata: Q2813766
• Mol file: 590-73-8.mol

Synonyms:2,2-Dimethylhexane;NSC 174065;

Chemical Property of 2,2-DIMETHYLHEXANE

Chemical Property:

• Appearance/Colour: colorless liquid.
• Vapor Pressure: 1.22 psi ( 37.7 °C)
• Melting Point: -121.1℃
• Refractive Index: n20/D 1.393(lit.)
• Boiling Point: 105.7 °C at 760 mmHg
• Flash Point: 26 °F
• PSA: 0.00000
• Density: 0.711 g/cm³
• LogP: 3.22270
• Water Solubility.: 0.2mg/L(temperature not stated)
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 114.140850574
• Heavy Atom Count: 8
• Complexity: 47.5

Purity/Quality:

99% ^*data from raw suppliers

2,2-Dimethylhexane ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2,2-DIMETHYLHEXANE

There total 36 articles about 2,2-DIMETHYLHEXANE 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: 15.0%

2,2-dimethyl-1-iodohexane (97467-23-7) + potassium diphenylphosphine (15475-27-1,4346-39-8) → 2,2-dimethylhexane (590-73-8) + (2,2-Dimethyl-hexyl)-diphenyl-phosphane

Guidance literature:

In tetrahydrofuran;

DOI:10.1021/jo00073a051

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;

Reference yield:

1-butylene (106-98-9,9003-28-5) → 2,4-dimethylpentane (108-08-7) + 2,2-dimethylhexane (590-73-8) + 2-methylheptane (592-27-8) + 2,3,3-Trimethyl-pentane (560-21-4) + 2,2,3-trimethylpentane (564-02-3) + 3,3-dimethylhexane (563-16-6) + 2,3,4-trimethylpentane (565-75-3) + 2-methyl-3-ethylpentane (609-26-7) + 4-methylheptane (589-53-7) + octane (111-65-9) + 2,2,4-trimethylpentane (540-84-1) + 2,5-dimethylhexane (592-13-2) + 3,4-dimethylhexane (583-48-2) + 2,3-dimethylhexane (584-94-1,116724-01-7) + 2,4-dimethylhexane (589-43-5) + 3-methylheptane (589-81-1)

Guidance literature:

1-butylene; With water; at 25 - 40 ℃;

at 125 - 240 ℃; under 52505.3 Torr;

With hydrogen; 0.5% Pt/Al2O3;

upstream raw materials:

n-butyl magnesium bromide

tertiary butyl chloride

methyl magnesium iodide

2-chloro-2-methylhexane

Downstream raw materials:

2,3-dimethylbutane

m-xylene

para-xylene

ethylbenzene

Refernces

• 1、 Ashby,Welder,Welder, Catherine O.. "The effect of reactor surfaces on single electron transfer reactions. The reaction of 1-iodo-2,2-dimethylhexane with lithium aluminum deuteride". . p. 7171 - 7174. Retrieved 1995.
• 2、 Nakaji, Yosuke,Oya, Shin-Ichi,Watanabe, Hideo,Watanabe, Makoto M.,Nakagawa, Yoshinao,Tamura, Masazumi,Tomishige, Keiichi. "Production of Gasoline Fuel from Alga-Derived Botryococcene by Hydrogenolysis over Ceria-Supported Ruthenium Catalyst". . p. 2701 - 2708. Retrieved 2017/07/28.
• 3、 -. "METHOD OF PREPARING GTBE". Page/Page column 8; 10. . Retrieved 2009/12/28.