2,2,4,4-Tetramethylpentane

Base Information

• Chemical Name: 2,2,4,4-Tetramethylpentane
• CAS No.: 1070-87-7
• Molecular Formula: C9H20
• Molecular Weight: 128.258
• Hs Code.: 2901100000
• European Community (EC) Number: 680-735-7
• NSC Number: 23692
• UNII: 7JS6EAL3EE
• DSSTox Substance ID: DTXSID70147870
• Nikkaji Number: J44.170H
• Wikidata: Q5651154
• Mol file: 1070-87-7.mol

Synonyms:2,2,4,4-TETRAMETHYLPENTANE;1070-87-7;Di-tert-Butylmethane;Pentane, 2,2,4,4-tetramethyl-;7JS6EAL3EE;NSC 23692;NSC-23692;Pentane, 2,2,4,4-tetramethyl- (8CI)(9CI);2,2,4,4,-Tetramethylpentane;NSC23692;UNII-7JS6EAL3EE;2,4,4-Tetramethylpentane;Pentane,2,4,4-tetramethyl-;2,2,4,4-tetramethyl-pentane;DTXSID70147870;GUMULFRCHLJNDY-UHFFFAOYSA-N;MFCD00060873;AKOS015903686;1-(2-AMINOETHYL)-4-PIPERIDINOL2HCL;FT-0691309;T1704;D92505;Q5651154;InChI=1/C9H20/c1-8(2,3)7-9(4,5)6/h7H2,1-6H

Chemical Property of 2,2,4,4-Tetramethylpentane

Chemical Property:

• Vapor Pressure: 16.6mmHg at 25°C
• Melting Point: -66.2°C
• Refractive Index: 1.4050 to 1.4080
• Boiling Point: 122.7°Cat760mmHg
• Flash Point: 19.3°C
• PSA: 0.00000
• Density: 0.723g/cm³
• LogP: 3.46870
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 128.156500638
• Heavy Atom Count: 9
• Complexity: 65.2

Purity/Quality:

99% ^*data from raw suppliers

2,2,4,4-Tetramethylpentane >99.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,2,4,4-Tetramethylpentane

There total 18 articles about 2,2,4,4-Tetramethylpentane 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: 82.0%

2-chloro-2,4,4-trimethylpentane (6111-88-2) + trimethylaluminum (75-24-1) → 2,2,4,4-tetramethylpentane (1070-87-7)

Guidance literature:

In pentane; for 48h; Heating;

Reference yield:

2,2-dimethylpropane (463-82-1) + Cyclopentane (287-92-3) → tetramethyl-2,2,3,3 butane (594-82-1) + 2,2,5,5-tetramethylhexane (1071-81-4) + 2,2,4,4-tetramethylpentane (1070-87-7) + 2,2,5-trimethylhexane (3522-94-9) + bicyclopentyl (1636-39-1) + neopentylcyclopentane

Guidance literature:

at -196.1 ℃; Product distribution; Irradiation; other temperature;

DOI:10.1246/bcsj.57.2029

Reference yield:

Di-t-butyl ketone (815-24-7) → 2,4,4-trimethylpent-2-ene (107-40-4) + 2,2,4,4-tetramethylpentane (1070-87-7) + 2,2,4,4-tetramethyl-3-pentanol (14609-79-1) + isobutene (115-11-7,15220-85-6)

Guidance literature:

With titanium tetrachloride; lithium; In tetrahydrofuran-d8; at 20 ℃; for 24h; Further byproducts.;

DOI:10.1002/1521-3765(20010716)7:14<3043::AID-CHEM3043>3.0.CO;2-D

upstream raw materials:

2-chloro-2,4,4-trimethylpentane

dimethyl zinc(II)

methylmagnesium bromide

2,2-dimethylpropane

Downstream raw materials:

3,3-Dimethyl-2-tert-butyl-1-butanol

ethylene glycol

2,2,4-trimethylhexane

2,2,5-trimethylhexane