2,3,4-Trimethylpentane

Base Information

• Chemical Name: 2,3,4-Trimethylpentane
• CAS No.: 565-75-3
• Molecular Formula: C8H18
• Molecular Weight: 114.231
• European Community (EC) Number: 209-292-6
• NSC Number: 24846
• UNII: WOJ1QVR6OA
• DSSTox Substance ID: DTXSID6060343
• Nikkaji Number: J44.097C
• Wikipedia: 2,3,4-Trimethylpentane
• Wikidata: Q2813774
• Metabolomics Workbench ID: 5406
• Mol file: 565-75-3.mol

Synonyms:2,3,4-trimethylpentane

Chemical Property of 2,3,4-Trimethylpentane

Chemical Property:

• Vapor Pressure: 24.5mmHg at 25°C
• Melting Point: −110 °C(lit.)
• Refractive Index: n20/D 1.404(lit.)
• Boiling Point: 113-114 °C(lit.)
• PKA: >14 (Schwarzenbach et al., 1993)
• Flash Point: 5°C
• PSA: 0.00000
• Density: 0.706g/cm³
• LogP: 2.93450
• Solubility.: Soluble in acetone, alcohol, benzene, chloroform, ether (Weast, 1986); miscible with many aliphatic hydrocarbons
• Water Solubility.: (mg/kg): 1.36 at 25 °C (shake flask-GLC, Price, 1976) 2.34 at 0 °C, 2.30 at 25 °C (shake flask-GC, Polak and Lu, 1973)
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 114.140850574
• Heavy Atom Count: 8
• Complexity: 45.1

Purity/Quality:

99% ^*data from raw suppliers

2,3,4-Trimethylpentane >99.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R11:Highly flammable.; R38:Irritating to skin.; R50/53:Very toxic to aquatic organisms, may cause long-term advers
• 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: CC(C)C(C)C(C)C

Technology Process of 2,3,4-Trimethylpentane

There total 56 articles about 2,3,4-Trimethylpentane 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:

1-butylene (106-98-9,9003-28-5) + (Z)-2-Butene (590-18-1) + trans-2-Butene (624-64-6) + Isobutane (75-28-5,40921-86-6) + 2,2-dimethylpropane (463-82-1) + methyl-cyclopentane (96-37-7) + n-butane (106-97-8,9003-29-6,9021-92-5) → 2,2,6-trimethyloctane (62016-28-8) + 2,4-dimethylpentane (108-08-7) + 2-Methylhexane (591-76-4) + 2,3,3-Trimethyl-pentane (560-21-4) + 2,3,4-trimethylpentane (565-75-3) + 2,2,4-trimethylpentane (540-84-1) + 2,5-dimethylhexane (592-13-2) + 2,3,4-trimethylhexane (921-47-1) + heptane, 3,3,5-trimethyl- (7154-80-5) + 2,3,5-trimethylheptane (20278-85-7) + 2,3,6-trimethylheptane (4032-93-3) + 2,2,4-trimethylheptane (14720-74-2) + 2,3-dimethyl pentane (565-59-3) + 2,3-dimethylhexane (584-94-1,116724-01-7) + 2,4-dimethylhexane (589-43-5) + methylbutane (78-78-4) + 3-methylpentane (96-14-0) + 2-Methylpentane (107-83-5) + 2,3-dimethylbutane (79-29-8) + triptane (464-06-2) + 2,4-dimethylheptane (2213-23-2) + 2,6-dimethylheptane (1072-05-5) + 2,2,5-trimethylhexane (3522-94-9) + cyclohexane (110-82-7,25012-93-5)

Guidance literature:

sulfuric acid; In water; at 1.65666 ℃; under 2963.34 Torr; Product distribution / selectivity;

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;

Reference yield:

Isobutane (75-28-5,40921-86-6) + Dimethyl ether (115-10-6,157621-61-9) → 2,3,3-Trimethyl-pentane (560-21-4) + 2,3,4-trimethylpentane (565-75-3) + 2,2,4-trimethylpentane (540-84-1) + 2,3-dimethyl pentane (565-59-3) + methylbutane (78-78-4)

Guidance literature:

With γ-alumina impregnated with nickel nitrate and zinc nitrate; at 475 ℃; under 760.051 Torr; Reagent/catalyst; Inert atmosphere;

upstream raw materials:

1-butylene

butene-2

Isobutane

propane

Downstream raw materials:

triptane

2,3-dimethyl pentane

o-xylene

para-xylene

Refernces

• 1、 -. "STABILIZATION OF ACTIVE METAL CATALYSTS AT METAL-ORGANIC FRAMEWORK NODES FOR HIGHLY EFFICIENT ORGANIC TRANSFORMATIONS". Paragraph 0338. . Retrieved 2019/01/07.
• 2、 Gieshoff, Tim N.,Chakraborty, Uttam,Villa, Matteo,Jacobi von Wangelin, Axel. "Alkene Hydrogenations by Soluble Iron Nanocluster Catalysts". supporting information. p. 3585 - 3589. Retrieved 2017/03/21.