1-[(Hexyloxy)methoxy]hexane

Base Information

• Chemical Name: 1-[(Hexyloxy)methoxy]hexane
• CAS No.: 54815-12-2
• Molecular Formula: C13H28O2
• Molecular Weight: 216.36000
• Hs Code.: 2909199090
• European Community (EC) Number: 611-201-3
• DSSTox Substance ID: DTXSID20334677
• Nikkaji Number: J105.335C
• Wikidata: Q82100588
• Mol file: 54815-12-2.mol

Synonyms:1-[(Hexyloxy)methoxy]hexane;Hexane, 1,1'-[methylenebis(oxy)]bis-;54815-12-2;1-[(hexyloxy)methoxy]-hexane;Di(hexyloxy)methane;1-(hexoxy-methoxy)-hexane;SCHEMBL723818;1-[(Hexyloxy)methoxy]hexane #;DTXSID20334677

Chemical Property of 1-[(Hexyloxy)methoxy]hexane

Chemical Property:

• Vapor Pressure: 0.0233mmHg at 25°C
• Boiling Point: 257.5oC at 760 mmHg
• Flash Point: 73.9oC
• PSA: 18.46000
• Density: 0.845g/cm3
• LogP: 4.13770
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 216.208930132
• Heavy Atom Count: 15
• Complexity: 92.7

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCOCOCCCCCC

Technology Process of 1-[(Hexyloxy)methoxy]hexane

There total 9 articles about 1-[(Hexyloxy)methoxy]hexane 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: 78.0%

1-(methoxymethoxy)hexane (66675-06-7) → bis(hexyloxy)methane (54815-12-2)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 36h; Heating;

DOI:10.1021/jo00327a032

Reference yield: 77.0%

dichloromethane (75-09-2) + hexan-1-ol (111-27-3) → bis(hexyloxy)methane (54815-12-2)

Guidance literature:

With [1,3-bis(cyclohexyl)imidazol-2-ylidene]copper(I) chloride; potassium tert-butylate; at 20 ℃; for 2h; Schlenk technique; Inert atmosphere;

DOI:10.1016/j.tetlet.2016.07.056

Reference yield: 55.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + hexan-1-ol (111-27-3) → bis(hexyloxy)methane (54815-12-2)

Guidance literature:

With nickel dibromide; In neat (no solvent); at 80 ℃; for 2h; Inert atmosphere; Sealed tube; Schlenk technique;

DOI:10.1007/s12039-017-1339-6

upstream raw materials:

formaldehyd

hexan-1-ol

(2,4-dinitro-benzoyloxy)-methylsulfanyl-methane

1-(methoxymethoxy)hexane

Downstream raw materials:

1-(methoxymethoxy)hexane