Bis(1-methylheptyl) ether

Base Information

• Chemical Name: Bis(1-methylheptyl) ether
• CAS No.: 20012-50-4
• Molecular Formula: C₁₆H₃₄O
• Molecular Weight: 242.445
• DSSTox Substance ID: DTXSID40497354
• Nikkaji Number: J3.243.366I

Synonyms:Bis(1-methylheptyl) ether;20012-50-4;2-[(Octan-2-yl)oxy]octane;SCHEMBL3790336;DTXSID40497354

Chemical Property of Bis(1-methylheptyl) ether

Chemical Property:

• Boiling Point: 277.5±8.0 °C(Predicted)
• PSA: 9.23000
• Density: 0.808±0.06 g/cm3(Predicted)
• LogP: 5.72080
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 12
• Exact Mass: 242.260965704
• Heavy Atom Count: 17
• Complexity: 129

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(C)OC(C)CCCCCC

Technology Process of Bis(1-methylheptyl) ether

There total 8 articles about Bis(1-methylheptyl) 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:

rac-octan-2-ol (4128-31-8,113301-48-7,4128-32-9) → trans-4-Octene (14850-23-8) + oct-3-ene (14850-22-7,14919-01-8,138663-42-0,592-98-3) + cis-2-octene (7642-04-8) + trans-2-Octene (13389-42-9) + 2-[(1-methylheptyl)oxy]-octane (71311-37-0,71311-38-1,20012-50-4) + oct-1-ene (111-66-0,25068-25-1) + hexyl-methyl-ketone (111-13-7) + (Z)-oct-4-ene (7642-15-1)

Guidance literature:

ZrO₂/Y₂O₃; at 325 ℃; under 750.075 Torr; Conversion of starting material;

Reference yield:

rac-octan-2-ol (4128-31-8,113301-48-7,4128-32-9) → oct-3-ene (14850-22-7,14919-01-8,138663-42-0,592-98-3) + cis-2-octene (7642-04-8) + trans-2-Octene (13389-42-9) + 2-[(1-methylheptyl)oxy]-octane (71311-37-0,71311-38-1,20012-50-4) + oct-1-ene (111-66-0,25068-25-1) + hexyl-methyl-ketone (111-13-7) + (Z)-oct-4-ene (7642-15-1)

Guidance literature:

ZrO₂/Y₂O₃/Na₂O; at 325 - 350 ℃; under 750.075 Torr; Conversion of starting material;

Reference yield:

hexyl-methyl-ketone (111-13-7) → octane (111-65-9) + rac-octan-2-ol (4128-31-8,113301-48-7,4128-32-9) + 2-[(1-methylheptyl)oxy]-octane (71311-37-0,71311-38-1,20012-50-4)

Guidance literature:

With hydrogen; In n-heptane; at 120 ℃; for 1h; under 3800.26 Torr; Reagent/catalyst; Autoclave;

DOI:10.1246/cl.140342

upstream raw materials:

rac-octan-2-ol

sulfuric acid

hexyl-methyl-ketone

octanol

Downstream raw materials:

oct-1-ene

water

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