Isopropyl octyl ether

Base Information

• Chemical Name: Isopropyl octyl ether
• CAS No.: 68975-45-1
• Molecular Formula: C₁₁H₂₄O
• Molecular Weight: 172.311
• DSSTox Substance ID: DTXSID80574259
• Nikkaji Number: J567.187F
• Wikidata: Q82463242

Synonyms:ISOPROPYL OCTYL ETHER;68975-45-1;1-isopropoxyoctane;1-isopropoxy-octane;1-Methylethyl octyl ether;1-[(Propan-2-yl)oxy]octane;SCHEMBL2851674;DTXSID80574259

Chemical Property of Isopropyl octyl ether

Chemical Property:

• Vapor Pressure: 0.662mmHg at 25°C
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 172.182715385
• Heavy Atom Count: 12
• Complexity: 79.1

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCOC(C)C

Technology Process of Isopropyl octyl ether

There total 3 articles about Isopropyl octyl ether 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:

2,2-bis(1-octyloxy)propane (94381-42-7) → octanol (111-87-5) + 1-(methylethoxy)octane (68975-45-1)

Guidance literature:

With hydrogen; palladium on activated charcoal; at 20 ℃; for 24h; atmospheric pressure;

DOI:10.1246/bcsj.78.456

Reference yield:

1-Iodooctane (629-27-6) + carbon dioxide (124-38-9,18923-20-1) + isopropyl alcohol (67-63-0,8013-70-5) → octanol (111-87-5) + 1-(methylethoxy)octane (68975-45-1) + n-octylisopropyl carbonate (1680-32-6)

Guidance literature:

With silver(l) oxide; In neat (no solvent); at 45 ℃; for 5h; Time;

DOI:10.1039/c3ra23281f

Reference yield:

1-Iodooctane (629-27-6) + carbon dioxide (124-38-9,18923-20-1) + isopropyl alcohol (67-63-0,8013-70-5) → octanol (111-87-5) + 1-(methylethoxy)octane (68975-45-1) + dioctyl carbonate (1680-31-5) + n-octylisopropyl carbonate (1680-32-6)

Guidance literature:

With silver(l) oxide; In chloroform; at 45 ℃; for 16h; Reagent/catalyst; Time; Solvent;

DOI:10.1039/c3ra23281f

upstream raw materials:

2,2-bis(1-octyloxy)propane

1-Iodooctane

carbon dioxide

isopropyl alcohol

Downstream raw materials:

1-bromo-octane

mono-1-methylheptyl phosphonate

octanol

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