4-Butyl-2-methoxyphenol

Base Information

• Chemical Name: 4-Butyl-2-methoxyphenol
• CAS No.: 59832-96-1
• Molecular Formula: C11H16O2
• Molecular Weight: 180.2435
• UNII: 9ZA5E33MIB
• DSSTox Substance ID: DTXSID80208562
• Wikidata: Q83082669
• Mol file: 59832-96-1.mol

Synonyms:4-Butyl-2-methoxyphenol;Phenol, 4-butyl-2-methoxy-;2-Methoxy-4-butylphenol;9ZA5E33MIB;59832-96-1;UNII-9ZA5E33MIB;GUAIACOL, 4-BUTYL-;SCHEMBL677607;DTXSID80208562;4-BUTYL-2-METHOXY-PHENOL

Chemical Property of 4-Butyl-2-methoxyphenol

Chemical Property:

• Vapor Pressure: 0.00222mmHg at 25°C
• Boiling Point: 280.5°C at 760 mmHg
• Flash Point: 119.9°C
• Density: 1.014g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 180.115029749
• Heavy Atom Count: 13
• Complexity: 136

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC(=C(C=C1)O)OC

Technology Process of 4-Butyl-2-methoxyphenol

There total 6 articles about 4-Butyl-2-methoxyphenol 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: 69.0%

C34H56O4P2 → 4-butylguaiacol (59832-96-1)

Guidance literature:

With chlorobis(ethylene)rhodium(I) dimer; hydrogen; In 1,4-dioxane; at 150 ℃; under 2585.81 Torr;

DOI:10.1038/s41557-018-0157-x

Reference yield:

vanillin (121-33-5,8014-42-4) → 4-butylguaiacol (59832-96-1)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether

2: hydrogen / Pd-C

With hydrogen; palladium on activated charcoal; In diethyl ether;

DOI:10.3891/acta.chem.scand.43-0044

Reference yield:

1-(4-hydroxy-3-methoxy-phenyl)-butan-1-ol (114515-48-9) → 4-butylguaiacol (59832-96-1)

Guidance literature:

With hydrogen; palladium on activated charcoal;

DOI:10.3891/acta.chem.scand.43-0044

upstream raw materials:

2-methoxy-phenol

butan-1-ol

1-(4-hydroxy-3-methoxy-phenyl)-butan-1-ol

vanillin