3-Methylnonane

Base Information

• Chemical Name: 3-Methylnonane
• CAS No.: 5911-04-6
• Deprecated CAS: 82373-57-7
• Molecular Formula: C10H22
• Molecular Weight: 142.285
• European Community (EC) Number: 227-631-6
• DSSTox Substance ID: DTXSID70863649
• Nikkaji Number: J132.730E
• Wikidata: Q2815998
• Metabolomics Workbench ID: 5312
• Mol file: 5911-04-6.mol

Synonyms:3-METHYLNONANE;5911-04-6;Nonane, 3-methyl-;3-methyl nonane;3-mrthylnonane;3-methyl-nonane;3-Methylnonane, (DL)-;DTXSID70863649;EINECS 227-631-6;LMFA11000617;MFCD00027308;3-Methylnonane, >=99.0% (GC);AKOS024319124;CS-0453989;FT-0635903;M0282;T72672;Q2815998

Chemical Property of 3-Methylnonane

Chemical Property:

• Vapor Pressure: 2.19mmHg at 25°C
• Boiling Point: 166-167 °C(lit.)
• Flash Point: 46 °C
• PSA: 0.00000
• Density: 0.732 g/mL at 20 °C(lit.)
• LogP: 4.00290
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 142.172150702
• Heavy Atom Count: 10
• Complexity: 57.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 3-Methylnonane

There total 26 articles about 3-Methylnonane 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: 95.0%

(R)-(-)-2-iodooctane (29117-48-4) → 3-methyl-nonane (5911-04-6)

Guidance literature:

With (CH₃CH₂)2Cu(CN)Li₂; In tetrahydrofuran; 1) -96 deg C, 25 min., 2) -78 deg C, 1.5h;

DOI:10.1021/jo00195a009

Reference yield:

C10H21Zn → 3-methyl-nonane (5911-04-6)

Guidance literature:

With hydrogenchloride; water; In hexane; at 0 ℃; Inert atmosphere;

DOI:10.1016/j.jorganchem.2014.10.039

Reference yield:

oct-1-ene (111-66-0,25068-25-1) + ethylmagnesium chloride (2386-64-3) → 3-methyl-nonane (5911-04-6) + 1-deutero-2-methylnonane (1392012-09-7) + 3-(deuteriomethyl)nonane (138825-21-5)

Guidance literature:

oct-1-ene; ethylmagnesium chloride; With tantalum pentachloride; In tetrahydrofuran; at 0 - 20 ℃; for 3h; Inert atmosphere;

With water-d2; hydrogen chloride; In tetrahydrofuran; Inert atmosphere;

DOI:10.1016/j.jorganchem.2012.05.023

upstream raw materials:

3-nonanol, 3-methyl-

ethyl sodium

(2R)-2-bromooctane

pentane

Downstream raw materials:

isodecane

4-methylnonane

propane

Isobutane

Refernces

• 1、 Bértolo, Raquel,Silva, Jo?o M.,Ribeiro, Filipa,Maldonado-Hódar, Francisco J.,Fernandes, Auguste,Martins, Angela. "Effects of oxidant acid treatments on carbon-templated hierarchical SAPO-11 materials: Synthesis, characterization and catalytic evaluation in n-decane hydroisomerization". . p. 230 - 237. Retrieved 2014/12/10.
• 2、 Sultanov, Rifkat M.,Samoilova, Elena V.,Popod'Ko, Natal'Ya R.,Tulyabaev, Artur R.,Sabirov, Denis Sh.,Dzhemilev, Usein M.. "Unusual pathway of the tantalum-catalyzed carboalumination reaction of alkenes with triethylaluminum". supporting information. p. 6619 - 6623. Retrieved 2013/11/19.