3-(Octyloxy)phenol

Base Information

• Chemical Name: 3-(Octyloxy)phenol
• CAS No.: 34380-89-7
• Molecular Formula: C14H22O2
• Molecular Weight: 222.327
• DSSTox Substance ID: DTXSID00562052
• Nikkaji Number: J27.325B
• Wikidata: Q82446035
• Mol file: 34380-89-7.mol

Synonyms:3-(octyloxy)phenol;Phenol, 3-(octyloxy)-;34380-89-7;resorcinol monooctyl ether;SCHEMBL875130;DTXSID00562052;QFTTTWKZLOQAFF-UHFFFAOYSA-N

Chemical Property of 3-(Octyloxy)phenol

Chemical Property:

• XLogP3: 5.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 222.161979940
• Heavy Atom Count: 16
• Complexity: 159

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCOC1=CC=CC(=C1)O

Technology Process of 3-(Octyloxy)phenol

There total 4 articles about 3-(Octyloxy)phenol 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: 48.3%

1-bromo-octane (111-83-1) + recorcinol (108-46-3) → n-octyl resorcinol (34380-89-7)

Guidance literature:

recorcinol; With potassium carbonate; In N,N-dimethyl-formamide; at 75 ℃; for 0.416667h; Inert atmosphere;

1-bromo-octane; In N,N-dimethyl-formamide; at 95 ℃; for 3.83h; Inert atmosphere;

DOI:10.1039/c7tc01197k

Reference yield:

1-octyl p-toluenesulfonate (3386-35-4) + resorcinol; sodium-compound (54494-87-0) → n-octyl resorcinol (34380-89-7) + 1,3-bis(octyloxy)benzene (50739-54-3)

Guidance literature:

With methanol;

Reference yield:

1-Allyloxy-3-octyloxy-benzene (122710-30-9) → n-octyl resorcinol (34380-89-7) + 2-Allyl-5-octyloxy-phenol (122710-49-0) + 4-Allyl-3-octyloxy-phenol + 2-Allyl-3-octyloxy-phenol (122710-48-9)

Guidance literature:

Product distribution; Irradiation; effect of solvent and complexing agent (α- and β-cyclodextrin);

DOI:10.1016/S0040-4020(01)86093-2

upstream raw materials:

1-octyl p-toluenesulfonate

resorcinol; sodium-compound

1-Allyloxy-3-octyloxy-benzene

1-bromo-octane

Downstream raw materials:

4,5-bis(3-octyloxyphenoxy)phthalonitrile

5-octyloxy-2-(6-octyloxybenzoxazol-2-yl)phenol

C₃₇H₅₉NO₅

C₂₉H₄₃NO₄