2,3,4-Trimethylhexane

Base Information

• Chemical Name: 2,3,4-Trimethylhexane
• CAS No.: 921-47-1
• Molecular Formula: C9H20
• Molecular Weight: 128.258
• European Community (EC) Number: 213-066-2
• DSSTox Substance ID: DTXSID50870795
• Nikkaji Number: J100.622C
• Wikidata: Q5651190
• Metabolomics Workbench ID: 44312
• Mol file: 921-47-1.mol

Synonyms:2,3,4-TRIMETHYLHEXANE;921-47-1;Hexane, 2,3,4-trimethyl-;2,3,4-trimethyl-hexane;EINECS 213-066-2;DTXSID50870795;AKOS006242755;FT-0763841;Q5651190

Chemical Property of 2,3,4-Trimethylhexane

Chemical Property:

• Vapor Pressure: 8.34mmHg at 25°C
• Melting Point: -116.79°C
• Refractive Index: 1.4120
• Boiling Point: 138.5°Cat760mmHg
• Flash Point: 28°C
• PSA: 0.00000
• Density: 0.719g/cm³
• LogP: 3.32460
• Water Solubility.: 271.1ug/L(temperature not stated)
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 128.156500638
• Heavy Atom Count: 9
• Complexity: 64.4

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,3,4-Trimethylhexane

There total 3 articles about 2,3,4-Trimethylhexane 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:

3,4-dimethyl-4-chlorohexane-2-one (871874-11-2) → 2,3,4-trimethylhexane (921-47-1)

Guidance literature:

With pyridine; beim Behandeln des Reaktionsprodukts mit Methylmagnesiumjodid, Erhitzen des danach isolierten Reaktionsprodukts unter Zusatz von Jod und anschliessenden Hydrieren an Platin/Kohle bei 170grad;

Reference yield:

→ 2,3,4-trimethylhexane (921-47-1)

Guidance literature:

3-Acetoxy-2,3,4-trimethylhexan, Pyrolyse;

upstream raw materials:

3,4-dimethyl-4-chlorohexane-2-one

1-butylene

(Z)-2-Butene

trans-2-Butene