4-(3-Pentyl)phenol

Base Information

• Chemical Name: 4-(3-Pentyl)phenol
• CAS No.: 29528-33-4
• Molecular Formula: C11H16 O
• Molecular Weight: 164.247
• DSSTox Substance ID: DTXSID30183714
• Nikkaji Number: J870.498H
• Wikidata: Q83054530
• Mol file: 29528-33-4.mol

Synonyms:4-(3-Pentyl)phenol;29528-33-4;4-pentan-3-ylphenol;4-(pentan-3-yl)phenol;SCHEMBL984070;DTXSID30183714;MFCD19301186;AKOS022504949;NS-01311

Chemical Property of 4-(3-Pentyl)phenol

Chemical Property:

• Vapor Pressure: 0.0167mmHg at 25°C
• Boiling Point: 247°C at 760 mmHg
• Flash Point: 119.1°C
• Density: 0.96g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 164.120115130
• Heavy Atom Count: 12
• Complexity: 110

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(3-Pentyl)phenol

There total 26 articles about 4-(3-Pentyl)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: 90.0%

1-methoxy-4-(pentan-3-yl)benzene (18272-82-7) → 4-(1-ethylpropyl)phenol (29528-33-4)

Guidance literature:

1-methoxy-4-(pentan-3-yl)benzene; With boron tribromide; In dichloromethane; at -78 ℃; for 15h;

With sodium hydrogencarbonate; In dichloromethane; water; at 0 ℃; for 0.0833333h;

Reference yield: 46.0%

pentan-3-one (96-22-0) + phenol (108-95-2,27073-41-2) → 4-(1-ethylpropyl)phenol (29528-33-4)

Guidance literature:

With Al⁺-exchanged montmorillonite; at 100 ℃; for 48h;

DOI:10.1246/cl.1996.59

Reference yield:

(+/-)-2-pentanol (6032-29-7,13403-73-1) + phenol (108-95-2,27073-41-2) → 4-(1-ethylpropyl)phenol (29528-33-4)

Guidance literature:

With aluminium trichloride; at 40 - 60 ℃;

DOI:10.1021/ja01222a005

upstream raw materials:

3,3-bis(4-hydroxyphenyl)pentane

1-methoxy-4-(pentan-3-yl)benzene

4-(1-ethylpropyl)phenylamine

pentan-3-one

Downstream raw materials:

1-(1-ethyl-propyl)-4-(3,5-dinitro-benzoyloxy)-benzene

3-<4-Hydroxy-3.5-dinitro-phenyl>-pentan

2-(4-Hydroxyphenyl)pentane

2-[4-(1-ethyl-propyl)-phenoxy]-phenylamine

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