Phenol, 4-(2-methylbutoxy)-

Base Information

• Chemical Name: Phenol, 4-(2-methylbutoxy)-
• CAS No.: 67599-20-6
• Molecular Formula: C11H16O2
• Molecular Weight: 180.247
• DSSTox Substance ID: DTXSID20886843
• Nikkaji Number: J453.376C
• Mol file: 67599-20-6.mol

Synonyms:4-(2-methylbutoxy)phenol;67599-20-6;Phenol, 4-(2-methylbutoxy)-;4-(2-methylbutoxy)benzenol;4-(2'-Methyl-1'-butoxy)phenol;Bionet2_000362;4-(2-methylbutyloxy)phenol;SCHEMBL8912305;DTXSID20886843;HMS1365A10;MFCD01814872;AKOS005080920;12N-198

Chemical Property of Phenol, 4-(2-methylbutoxy)-

Chemical Property:

• Vapor Pressure: 0.00146mmHg at 25°C
• Boiling Point: 287.2°Cat760mmHg
• Flash Point: 128.3°C
• PSA: 29.46000
• Density: 1.011g/cm³
• LogP: 2.81710
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 180.115029749
• Heavy Atom Count: 13
• Complexity: 128

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

4-(2-Methylbutoxy)benzenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)COC1=CC=C(C=C1)O

Technology Process of Phenol, 4-(2-methylbutoxy)-

There total 8 articles about Phenol, 4-(2-methylbutoxy)- 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: 72.0%

(2S)-2-methyl-1-butanol (1565-80-6) + butan-1-ol (71-36-3) → 4-[(S)-2-methyl-1-butoxy]phenol (67599-20-6)

Guidance literature:

With sodium hydroxide; hydroquinone; In water;

Reference yield: 72.0%

→ 4-[(S)-2-methyl-1-butoxy]phenol (67599-20-6) + p-toluenesulfonic acid 2-methylbutyl ester (63526-71-6)

Guidance literature:

Reference yield: 64.0%

4-Benzyloxyphenol (103-16-2) + p-toluenesulfonic acid 2-methylbutyl ester (63526-71-6) → 4-[(S)-2-methyl-1-butoxy]phenol (67599-20-6) + 4-(2-methylbutyloxy)phenylbenzyl ether

Guidance literature:

With hydrogenchloride; potassium hydroxide; In ethyl acetate; N,N-dimethyl-formamide;

upstream raw materials:

(+)-1-bromo-2-methylbutane

hydroquinone

(-)-2-Methylbutan-1-ol

4-Benzyloxyphenol

Downstream raw materials:

p-2-Methylbutoxyphenyl p'-hydroxybenzoate

4-Hydroxybenzoic Acid 4'-(2-Methylbutyloxy)phenyl Ester

4-((2R,5S)-5-Undecyl-[1,3]oxathian-2-yl)-benzoic acid 4-((S)-2-methyl-butoxy)-phenyl ester

4-((2R,5R)-5-Undecyl-[1,3]oxathian-2-yl)-benzoic acid 4-((S)-2-methyl-butoxy)-phenyl ester