4-Butoxyphenol

Base Information

• Chemical Name: 4-Butoxyphenol
• CAS No.: 122-94-1
• Molecular Formula: C10H14O2
• Molecular Weight: 166.22
• Hs Code.: 29095000
• European Community (EC) Number: 204-583-4
• NSC Number: 60292
• UNII: 8188DBS68J
• DSSTox Substance ID: DTXSID4059548
• Nikkaji Number: J27.317A
• Wikidata: Q27116038
• ChEMBL ID: CHEMBL224262
• Mol file: 122-94-1.mol

Synonyms:4-butoxyphenol;p-butoxyphenol

Chemical Property of 4-Butoxyphenol

Chemical Property:

• Appearance/Colour: Pale brown to brown crystalline powder
• Vapor Pressure: 9.14mmHg at 25°C
• Melting Point: 65-66 °C(lit.)
• Refractive Index: 1.423
• Boiling Point: 277.993 °C at 760 mmHg
• PKA: 10.33±0.15(Predicted)
• Flash Point: 132.369 °C
• PSA: 29.46000
• Density: 1.029 g/cm³
• LogP: 2.57110
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Soluble in acetone and ethanol.
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 106

Purity/Quality:

99% ^*data from raw suppliers

4-Butoxyphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi,T
• Hazard Codes: Xn,Xi,T
• Statements: 22-37/38-40-41-43-52/53-42/43-36/37/38-23/24/25-45-R42/43-R36/37/38-R23/24/25-R45
• Safety Statements: 26-36/37/39-61-53-45-22-S53-S45-S36/37/39-S26-S22-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=CC=C(C=C1)O
• Uses: Pramoxine impurity. Phenol derivatives induced tumor cell apoptosis. It is an intermediate of liquid crystals. Intermediates of Liquid Crystals

Technology Process of 4-Butoxyphenol

There total 23 articles about 4-Butoxyphenol 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: 96.0%

4-butoxyphenylboronic acid (105365-51-3) → 4-n-butoxyphenol (122-94-1)

Guidance literature:

With dihydrogen peroxide; In acetonitrile; at 30 - 35 ℃; for 0.166667h; Schlenk technique;

DOI:10.1016/j.tetlet.2017.07.041

Reference yield: 96.0%

C15H22O3 → 4-n-butoxyphenol (122-94-1)

Guidance literature:

With Dowex 50WX₈; In methanol; at 20 ℃; for 2h;

DOI:10.1002/chem.202003991

Reference yield: 95.0%

n-butyl phenyl ether (1126-79-0) → 4-n-butoxyphenol (122-94-1)

Guidance literature:

With dirhodium tetraacetate; [bis(acetoxy)iodo]benzene; trifluoroacetic anhydride; at 80 ℃; for 1h;

upstream raw materials:

butyl para-toluenesulfonate

sodium 4-hydroxybenzen-1-olate

1-bromo-butane

hydroquinone

Downstream raw materials:

(4-butoxy-phenoxy)-acetone

4-butoxy-2-chloro-phenol

(4-butoxy-phenoxymethyl)-oxirane

4-Butyl-benzoic acid 4-butoxy-phenyl ester

Refernces

• 1、 Urner, Leonhard H.,Goltsche, Katharina,Selent, Marleen,Liko, Idlir,Schweder, Marc-Philip,Robinson, Carol V.,Pagel, Kevin,Haag, Rainer. "Dendritic Oligoglycerol Regioisomer Mixtures and Their Utility for Membrane Protein Research". . p. 2537 - 2542. Retrieved 2020/12/30.
• 2、 Zhu, Runqing,Sun, Qianqian,Li, Jing,Li, Luohao,Gao, Qinghe,Wang, Yakun,Fang, Lizhen. "Para -Selective hydroxylation of alkyl aryl ethers". supporting information. p. 13190 - 13193. Retrieved 2021/12/16.