Pentane, 1,1'-[ethylidenebis(oxy)]bis-

Base Information

• Chemical Name: Pentane, 1,1'-[ethylidenebis(oxy)]bis-
• CAS No.: 13002-08-9
• Molecular Formula: C12H26 O2
• Molecular Weight: 202.337
• Hs Code.: 2909199090
• European Community (EC) Number: 235-838-8
• DSSTox Substance ID: DTXSID9065318
• Nikkaji Number: J97.283E
• Wikidata: Q63409671
• Mol file: 13002-08-9.mol

Synonyms:Dipentoxyethane;13002-08-9;Pentane, 1,1'-[ethylidenebis(oxy)]bis-;1-(1-pentoxyethoxy)pentane;EINECS 235-838-8;Pentane, 1,1'-(ethylidenebis(oxy))bis-;1,1'-(Ethylidenebis(oxy))bispentane;1,1'-[ethylidenebis(oxy)]bispentane;1,1-dipentyloxyethane;1,1-dipentoxyethane;1,1-dipentyloxy-ethane;1,1-Di(pentyloxy)ethane;DTXSID9065318;1-(1-(pentyloxy)ethoxy)pentane;ACETALDEHYDE DIPENTYL ACETAL;FT-0690928;Q63409671

Chemical Property of Pentane, 1,1'-[ethylidenebis(oxy)]bis-

Chemical Property:

• Boiling Point: 227.2oC at 760 mmHg
• Flash Point: 58.7oC
• PSA: 18.46000
• Density: 0.844g/cm3
• LogP: 3.74600
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 202.193280068
• Heavy Atom Count: 14
• Complexity: 92.5

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCOC(C)OCCCCC

Technology Process of Pentane, 1,1'-[ethylidenebis(oxy)]bis-

There total 5 articles about Pentane, 1,1'-[ethylidenebis(oxy)]bis- 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: 24.0%

pentan-1-ol (71-41-0) + acetaldehyde (75-07-0,9002-91-9) → 1,1-dipentyloxyethane (13002-08-9)

Guidance literature:

With sulfur dioxide; 1.) 0 - 2 deg C, 8 h 2.) room temp., 15 h;

Reference yield:

pentan-1-ol (71-41-0) + acetylene (74-86-2,25067-58-7) → 1,1-dipentyloxyethane (13002-08-9)

Guidance literature:

With boron trifluoride methanol complex; mercury(II) oxide;

DOI:10.1021/ja01370a049

Reference yield:

pentyl vinyl ether (5363-63-3) + urea (57-13-6) → 1,1-dipentyloxyethane (13002-08-9) + N,N''-ethylidene-di-urea (1589-36-2) + {1-[3-(1-Pentyloxy-ethyl)-ureido]-ethyl}-urea

Guidance literature:

With heptafluorobutyric Acid; at 95 - 100 ℃; for 1.5h; Further byproducts given; other reagent (trifluoroacetic acid);

upstream raw materials:

pentan-1-ol

paracetaldehyde

acetylene

acetaldehyde

Downstream raw materials:

pentan-1-ol

1-pentyl acetate

pentanal

decane

Refernces

• 1、 Burczyk, Bogdan. "Acetals and Ethers. I. Sulfur Dioxide as a Catalyst in Acetal Synthesis from Aliphatic Aldehydes or Ketones and Alcohols". . p. 173 - 176. Retrieved 2007/10/02.