Phenol, 4-butoxy-2,3,6-trimethyl-

Base Information

• Chemical Name: Phenol, 4-butoxy-2,3,6-trimethyl-
• CAS No.: 148081-69-0
• Molecular Formula: C₁₃H₂₀O₂
• Molecular Weight: 208.301
• DSSTox Substance ID: DTXSID10436654
• Nikkaji Number: J676.328F
• Wikidata: Q82251935

Synonyms:Phenol, 4-butoxy-2,3,6-trimethyl-;148081-69-0;SCHEMBL689246;DTXSID10436654;2,3,6-Trimethyl-4-butoxyphenol

Chemical Property of Phenol, 4-butoxy-2,3,6-trimethyl-

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 208.146329876
• Heavy Atom Count: 15
• Complexity: 181

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=C(C(=C(C(=C1)C)O)C)C

Technology Process of Phenol, 4-butoxy-2,3,6-trimethyl-

There total 2 articles about Phenol, 4-butoxy-2,3,6-trimethyl- 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: 73.0%

Trimethylhydroquinone (700-13-0) + butan-1-ol (71-36-3) → Butyl-(4-hydroxy-2.3.5-trimethyl-phenyl)-aether (148081-69-0)

Guidance literature:

With phosphomolybdic acid; for 6h; Heating;

DOI:10.1248/cpb.42.570 DOI:10.1248/cpb.42.576

Reference yield:

1-bromo-butane (109-65-9) + Trimethylhydroquinone (700-13-0) → Butyl-(4-hydroxy-2.3.5-trimethyl-phenyl)-aether (148081-69-0)

Guidance literature:

With ethanol; sodium ethanolate;

DOI:10.1093/oxfordjournals.intqhc.a002616

Reference yield: 65.0%

Butyl-(4-hydroxy-2.3.5-trimethyl-phenyl)-aether (148081-69-0) + β-D-glucose pentaacetate (604-69-3) → Acetic acid (2S,3R,4S,5R,6R)-4,5-diacetoxy-6-acetoxymethyl-2-(4-butoxy-2,3,6-trimethyl-phenoxy)-tetrahydro-pyran-3-yl ester (148081-70-3)

Guidance literature:

With boron trifluoride diethyl etherate; In benzene; for 8h; Ambient temperature;

DOI:10.1248/cpb.42.570

upstream raw materials:

1-bromo-butane

Trimethylhydroquinone

butan-1-ol

Downstream raw materials:

4-butoxy-3-chloromethyl-2,5,6-trimethyl-phenol

Acetic acid (2S,3R,4S,5R,6R)-4,5-diacetoxy-6-acetoxymethyl-2-(4-butoxy-2,3,6-trimethyl-phenoxy)-tetrahydro-pyran-3-yl ester

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