1-Butoxyoctane

Base Information

• Chemical Name: 1-Butoxyoctane
• CAS No.: 53839-23-9
• Molecular Formula: C12H26O
• Molecular Weight: 186.338
• UNII: Q63827TE1O
• DSSTox Substance ID: DTXSID70447625
• Nikkaji Number: J567.183C
• Wikidata: Q27287038
• Mol file: 53839-23-9.mol

Synonyms:1-butoxyoctane;Octane, 1-butoxy-;1-butoxy-octane;n-butyl n-octyl ether;BUTYL OCTYL ETHER;Butyloctyl Ether;53839-23-9;Q63827TE1O;UNII-Q63827TE1O;SCHEMBL200366;DTXSID70447625;HLKBESQBAMRXPZ-UHFFFAOYSA-N;Q27287038

Chemical Property of 1-Butoxyoctane

Chemical Property:

• Vapor Pressure: 0.148mmHg at 25°C
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 10
• Exact Mass: 186.198365449
• Heavy Atom Count: 13
• Complexity: 81.2

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCOCCCC

Technology Process of 1-Butoxyoctane

There total 2 articles about 1-Butoxyoctane 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:

octanol (111-87-5) + butan-1-ol (71-36-3) + hexan-1-ol (111-27-3) → dibutyl ether (142-96-1) + dihexyl ether (112-58-3) + 1-butoxyoctane (53839-23-9) + 1-(hexyloxy)octane (17071-54-4) + di-n-octyl ether (629-82-3) + 1-butoxyhexane (54459-71-1)

Guidance literature:

sulfuric acid; at 200 ℃; for 2h; under 36003.6 Torr; Product distribution / selectivity;

Reference yield:

Octanal (124-13-0) + butan-1-ol (71-36-3) → octanol (111-87-5) + 1-butoxyoctane (53839-23-9) + di-n-octyl ether (629-82-3)

Guidance literature:

With hydrogen; In cyclohexane; at 100 ℃; for 7h; under 30002.4 Torr; Product distribution; Mechanism; various reaction conditions;

upstream raw materials:

Octanal

butan-1-ol

octanol

hexan-1-ol

Refernces

• 1、 Fache, Fabienne,Bethmont, Valerie,Jacquot, Laurent,Lemaire, Marc. "Reductive O- and N-alkylations. Alternative catalytic methods to nucleophilic substitution". . p. 231 - 238. Retrieved 2007/10/03.