2-Nonylphenol

Base Information

• Chemical Name: 2-Nonylphenol
• CAS No.: 136-83-4
• Molecular Formula: C15H24 O
• Molecular Weight: 220.355
• Hs Code.: 2907131000
• European Community (EC) Number: 205-263-7,246-672-0
• UNII: 24R8721A3S
• DSSTox Substance ID: DTXSID9073125
• Nikkaji Number: J141.394E
• Wikidata: Q27253871
• Mol file: 136-83-4.mol

Synonyms:2-Nonylphenol;Phenol, nonyl-;25154-52-3;136-83-4;o-Nonylphenol;Nonyl phenol;Phenol, 2-nonyl-;n-Nonylphenol;UNII-24R8721A3S;EINECS 205-263-7;24R8721A3S;2-n-nonylphenol;2-n-nonyl-phenol;Ortho-n-nonyl-phenol;SCHEMBL15886;BIDD:ER0079;Fenol, 4-nonil-, ramificado;DTXSID9073125;EINECS 284-325-5;AKOS015889917;AS-56574;LS-193727;FT-0658329;EC 284-325-5;Q27253871

Chemical Property of 2-Nonylphenol

Chemical Property:

• Boiling Point: 293-297oC
• PSA: 20.23000
• LogP: 4.68530
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 220.182715385
• Heavy Atom Count: 16
• Complexity: 156

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Phenols
• Canonical SMILES: CCCCCCCCCC1=CC=CC=C1O

Technology Process of 2-Nonylphenol

There total 11 articles about 2-Nonylphenol 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: 80.6%

1-(2-hydroxyphenyl)non-1-ene (702660-68-2) → nonylphenol (136-83-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 20 ℃;

DOI:10.1016/j.chemphyslip.2003.08.004

Reference yield:

phosphotungestic acid (1343-93-7) + non-1-ene (124-11-8) + phenol (108-95-2,27073-41-2) → nonylphenol (136-83-4)

Guidance literature:

In water;

Reference yield:

1-bromo-octane (111-83-1) → nonylphenol (136-83-4)

Guidance literature:

Multi-step reaction with 3 steps

1.1: 98.7 percent / o-xylene / Heating

2.1: n-butyllithium / tetrahydrofuran; hexane

2.2: 56.8 percent / tetrahydrofuran; hexane

3.1: 80.6 percent / H₂ / Pd/C / ethanol / 20 °C

With n-butyllithium; hydrogen; palladium on activated charcoal; In tetrahydrofuran; ethanol; hexane; o-xylene; 2.2: Wittig reaction;

DOI:10.1016/j.chemphyslip.2003.08.004

upstream raw materials:

2-nonylanisole

1-(2-hydroxyphenyl)non-1-ene

1-bromo-octane

n-octyltriphenylphosphoniumbromide

Downstream raw materials:

2-hydroxy-3-n-nonylbenzaldehyde