2,3-Dimethyloctane

Base Information

• Chemical Name: 2,3-Dimethyloctane
• CAS No.: 7146-60-3
• Molecular Formula: C10H22
• Molecular Weight: 142.285
• Hs Code.: 2901100000
• European Community (EC) Number: 622-338-3
• NSC Number: 23697
• DSSTox Substance ID: DTXSID10871182
• Nikkaji Number: J241K
• Wikidata: Q5651200
• Metabolomics Workbench ID: 5316
• Mol file: 7146-60-3.mol

Synonyms:2,3-DIMETHYLOCTANE;7146-60-3;Octane, 2,3-dimethyl-;2,3-Dimethyl octane;2,3 Dimethyloctane;NSC 23697;NSC23697;Octane,3-dimethyl-;DTXSID10871182;YPMNDMUOGQJCLW-UHFFFAOYSA-N;LMFA11000621;NSC-23697;Octane, 2,3-dimethyl- (8CI)(9CI);FT-0691395;2,2,3,3,4,5,5,6,6-NONACHLOROBIPHENYL;Q5651200;InChI=1/C10H22/c1-5-6-7-8-10(4)9(2)3/h9-10H,5-8H2,1-4H

Chemical Property of 2,3-Dimethyloctane

Chemical Property:

• Vapor Pressure: 2.57mmHg at 25°C
• Melting Point: -83.15°C
• Refractive Index: 1.4127
• Boiling Point: 164.5°C at 760 mmHg
• Flash Point: 88°C
• PSA: 0.00000
• Density: 0.732g/cm³
• LogP: 3.85880
• Water Solubility.: 72.81ug/L(temperature not stated)
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 142.172150702
• Heavy Atom Count: 10
• Complexity: 64.4

Purity/Quality:

99% ^*data from raw suppliers

2,3-Dimethyloctane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,F
• Hazard Codes: Xi,F

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(C)C(C)C

Technology Process of 2,3-Dimethyloctane

There total 2 articles about 2,3-Dimethyloctane 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: 4.0%

2-methyl-2-butylchloride (594-36-5) + tetraamylsilane (3429-63-8) → octane, 3,3-dimethyl- (4110-44-5) + 2,3-dimethyl-octane (7146-60-3) + methylbutane (78-78-4)

Guidance literature:

With aluminium trichloride; In dichloromethane; for 1h; Title compound not separated from byproducts; Ambient temperature;

Reference yield:

1-bromo-2,3-dimethyl-2-butene (5072-70-8) → 2,3-dimethyl-octane (7146-60-3)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether / -30 - -20 °C

2: platinum/charcoal / 160 - 170 °C / Hydrogenation

With platinum on activated charcoal; diethyl ether;

upstream raw materials:

2-methyl-2-butylchloride

tetraamylsilane

1-bromo-2,3-dimethyl-2-butene

Refernces