1,2-Bis(octyloxy)benzene

Base Information

• Chemical Name: 1,2-Bis(octyloxy)benzene
• CAS No.: 4956-41-6
• Molecular Formula: C22H38O2
• Molecular Weight: 334.543
• DSSTox Substance ID: DTXSID10369291
• Nikkaji Number: J1.136.792E
• Wikidata: Q82156338
• Mol file: 4956-41-6.mol

Synonyms:1,2-Bis(octyloxy)benzene;4956-41-6;1,2-dioctoxybenzene;1,2-(DIOCTYLOXY)BENZENE;bis(octyloxy)benzene;1,2-Dioctyloxybenzene;SCHEMBL1964196;1 2-Bis(octyloxy)benzene 97;DTXSID10369291;FNLUIKNPCILERZ-UHFFFAOYSA-N;1,2-Bis(octyloxy)benzene, 97%;MFCD00216908

Chemical Property of 1,2-Bis(octyloxy)benzene

Chemical Property:

• Vapor Pressure: 0.000285mmHg at 25°C
• Refractive Index: n20/D 1.4840(lit.)
• Boiling Point: 332-333oC(lit.)
• Flash Point: 187 °F
• PSA: 18.46000
• Density: 0.904 g/mL at 25oC(lit.)
• LogP: 7.16520
• XLogP3: 8.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 334.287180451
• Heavy Atom Count: 24
• Complexity: 228

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,2-Bis(octyloxy)benzene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCOC1=CC=CC=C1OCCCCCCCC

Technology Process of 1,2-Bis(octyloxy)benzene

There total 5 articles about 1,2-Bis(octyloxy)benzene 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: 99.0%

1-bromo-octane (111-83-1) + benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → 1,2-dioctyloxybenzene (4956-41-6)

Guidance literature:

With potassium hydroxide; Aliquat; at 60 ℃; for 2h;

Reference yield:

octanol (111-87-5) + benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → 1,2-dioctyloxybenzene (4956-41-6)

Guidance literature:

With potassium carbonate; potassium iodide; for 10h; Heating;

DOI:10.1039/b703685j

Reference yield:

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → 1,2-dioctyloxybenzene (4956-41-6)

Guidance literature:

With potassium hydroxide; Aliquat 336;

upstream raw materials:

1-octyl p-toluenesulfonate

pyrocatechol monosodium salt

1-bromo-octane

benzene-1,2-diol

Downstream raw materials:

2,3,6,7,10,11-hexakis(hexyloxy)triphenylene

2,3,6,7,10,11-hexakis(octyloxy)triphenylene

3,4-di-n-octyloxyacetophenone

1,2-bis(octyloxy)-4-iodobenzene

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