1-Methoxyoctane

Base Information

• Chemical Name: 1-Methoxyoctane
• CAS No.: 929-56-6
• Molecular Formula: C9H20 O
• Molecular Weight: 144.257
• Hs Code.: 2909199090
• European Community (EC) Number: 213-201-5
• DSSTox Substance ID: DTXSID40239190
• Nikkaji Number: J298.507A
• Wikidata: Q3333701
• Mol file: 929-56-6.mol

Synonyms:1-Methoxyoctane;929-56-6;Octane, 1-methoxy-;Octyl methyl ether;Methyl octyl ether;n-Octyl methyl ether;EINECS 213-201-5;methoxyoctane;Ether, methyl octyl;SCHEMBL92148;SCHEMBL6886000;SCHEMBL13389166;DTXSID40239190;MFCD01366363;AKOS006229555;FT-0608016;Q3333701

Chemical Property of 1-Methoxyoctane

Chemical Property:

• Vapor Pressure: 1.69mmHg at 25°C
• Melting Point: -68.3°C (estimate)
• Refractive Index: 1.41
• Boiling Point: 173.5°Cat760mmHg
• Flash Point: 49.3°C
• PSA: 9.23000
• Density: 0.786g/cm³
• LogP: 2.99330
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 144.151415257
• Heavy Atom Count: 10
• Complexity: 52.7

Purity/Quality:

99% ^*data from raw suppliers

1-METHOXYOCTANE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCOC

Technology Process of 1-Methoxyoctane

There total 61 articles about 1-Methoxyoctane 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: 97.0%

3-methoxy-1,7-octadiene (20202-62-4) + 1-methoxy-2,7-octadiene (14543-49-8) → 1-methoxyoctane (929-56-6) + 3-octyl methyl ether (54658-02-5)

Guidance literature:

With hydrogen; 5% palladium on barium sulfate; at 25 - 35 ℃; for 3h; under 16274.9 Torr; Conversion of starting material;

Reference yield: 95.0%

methanol (67-56-1) + Octanal (124-13-0) → 1-methoxyoctane (929-56-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; at 100 ℃; under 30002.4 Torr;

DOI:10.1016/0040-4039(95)00730-Z

Reference yield: 91.0%

trimethyl phosphite (512-56-1) + octanol (111-87-5) → 1-methoxyoctane (929-56-6) + di-n-octyl ether (629-82-3)

Guidance literature:

With bismuth(lll) trifluoromethanesulfonate; In neat (no solvent); at 100 ℃; Reagent/catalyst;

DOI:10.1002/cssc.201701841

upstream raw materials:

diazomethane

octanol

trimethyl phosphite

methyl bromide

Downstream raw materials:

Octanal

Octanoic acid

methanol

octanol

Refernces

• 1、 Beller, Matthias,Feng, Lu,Gao, Jie,Jackstell, Ralf,Jagadeesh, Rajenahally V.,Liu, Yuefeng,Ma, Rui. "Ambient Hydrogenation and Deuteration of Alkenes Using a Nanostructured Ni-Core–Shell Catalyst". supporting information. p. 18591 - 18598. Retrieved 2021/06/28.
• 2、 Duclos, Marie-Christine,Herbinski, Aurélien,Mora, Anne-Sophie,Métay, Estelle,Lemaire, Marc. "Methylation of Polyols with Trimethylphosphate in the Presence of a Lewis or Br?nsted Acid Catalyst". . p. 547 - 551. Retrieved 2018/01/16.