4-Nonylphenol

Base Information

• Chemical Name: 4-Nonylphenol
• CAS No.: 104-40-5
• Deprecated CAS: 29832-11-9
• Molecular Formula: C15H24O
• Molecular Weight: 220.355
• Hs Code.: 2907131000
• European Community (EC) Number: 203-199-4,268-359-8,806-347-1
• DSSTox Substance ID: DTXSID5033836
• Nikkaji Number: J45.974G
• Wikipedia: 1-Nonyl-4-phenol
• Wikidata: Q4545806
• Metabolomics Workbench ID: 48396
• ChEMBL ID: CHEMBL153062
• Mol file: 104-40-5.mol

Synonyms:4-nonylphenol;4-tert-nonylphenol;para-nonylphenol

Chemical Property of 4-Nonylphenol

Chemical Property:

• Appearance/Colour: viscous colourless liquid with a phenol-like smell
• Vapor Pressure: 0.00016mmHg at 25°C
• Melting Point: 43-44 °C
• Refractive Index: 1.505
• Boiling Point: 330.642 °C at 760 mmHg
• PKA: 10.15±0.15(Predicted)
• Flash Point: 184.211 °C
• PSA: 20.23000
• Density: 0.933 g/cm³
• LogP: 4.68530
• Storage Temp.: APPROX 20°C
• Solubility.: Sparingly Soluble (0.020 g/L) at 25°C.
• Water Solubility.: 6.35mg/L(25 oC)
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 220.182715385
• Heavy Atom Count: 16
• Complexity: 148

Purity/Quality:

99.9% ^*data from raw suppliers

PNP ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C, N
• Hazard Codes: C,N
• Statements: 22-34-50/53-62-63
• Safety Statements: 26-36/37/39-45-61-60

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Phenols
• Canonical SMILES: CCCCCCCCCC1=CC=C(C=C1)O
• Uses: 4-nonylphenol is used in the process for the manufacture of 5-nonyl salicylaldoxime, which is used for the selective purification and concentration of copper ions. weevil pheromone, shows estrogenic activity Principal use as an intermediate in the production of nonionic ethoxylated surfactants; as an intermediate in the manufacture of phosphite antioxidants used for the plastics and rubber industries

Technology Process of 4-Nonylphenol

There total 14 articles about 4-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: 100.0%

1-(4-methoxyphenyl)nonane (32588-84-4) → 4-Nonylphenol (104-40-5)

Guidance literature:

With perhydrodibenzo-18-crown-6; In toluene; for 3h; Product distribution; Ambient temperature; other solvents, addition of isopropanol, other anisole derivatives;

DOI:10.1016/S0040-4039(00)61144-9

Reference yield: 83.0%

4-nonanoylphenol (14392-69-9) → 4-Nonylphenol (104-40-5)

Guidance literature:

With hydrogenchloride; mercury; zinc; In ethanol; for 20h; Heating;

DOI:10.1016/0269-7491(94)00080-W

Reference yield:

4-nonylphenyl acetate (32604-44-7) → 4-Nonylphenol (104-40-5)

Guidance literature:

4-nonylphenyl acetate; With aluminum (III) chloride; In toluene; for 10h; Heating / reflux;

With hydrogenchloride; In water; at 50 ℃; for 1h; Purification / work up;

upstream raw materials:

1-(4-methoxyphenyl)nonane

4-nonanoylphenol

2,6-dibromononylphenol

Nonanoyl chloride

Downstream raw materials:

2,6-dihydroxymethyl-4-nonylphenol

2-Nitro-4-nonyl-phenol

dichlorophosphoric acid-(4-nonyl-phenyl ester)

4-nonyllphenyl benzoate

Refernces

• 1、 -. "PROCESS FOR THE PURIFICATION OF HYDROXYARYL-ALDHYDES AND KETONES AND THEIR USE IN THE PRODUCTION OF HYDROXYARYL OXIME DERIVATIVES". Page 14. . Retrieved 2008/06/13.
• 2、 Ohsawa,Hatano,Kayoh,Kotabe,Oishi. "Dissolving metal reduction with crown ether --- reductive demethylation of mono-, di- and trimethoxybenzene derivatives with toluene radical anion". . p. 5555 - 5558. Retrieved 2007/10/02.