4-Dodecylphenol

Base Information

• Chemical Name: 4-Dodecylphenol
• CAS No.: 104-43-8
• Molecular Formula: C18H30O
• Molecular Weight: 262.436
• European Community (EC) Number: 203-202-9
• UNII: EZF5Y6P2G8
• DSSTox Substance ID: DTXSID1022508
• Nikkaji Number: J104.968B
• Wikidata: Q27116044
• Metabolomics Workbench ID: 67811
• ChEMBL ID: CHEMBL194881
• Mol file: 104-43-8.mol

Synonyms:4-Dodecylphenol;104-43-8;Phenol, 4-dodecyl-;p-Dodecylphenol;Phenol, p-dodecyl-;4-n-dodecylphenol;CHEMBL194881;UNII-EZF5Y6P2G8;EZF5Y6P2G8;DTXSID1022508;CHEBI:34402;EINECS 203-202-9;4-dodecyl phenol;4-Dodecyl-phenol;Para-dodecyl phenol;4-DODECYLBENZOLOL;Phenol,4-dodecyl-,branched;SCHEMBL18082;BIDD:ER0007;DTXCID402508;BCP25278;Tox21_301020;BDBM50410517;AKOS016010820;NCGC00248258-01;NCGC00254922-01;AS-76002;CAS-104-43-8;J104.968B;CS-0224241;D5681;FT-0631570;D90418;EN300-118409;Q27116044;Z1459882662

Chemical Property of 4-Dodecylphenol

Chemical Property:

• Appearance/Colour: straw-colored liquid.
• Vapor Pressure: 3.3E-06mmHg at 25°C
• Melting Point: 78°C (estimate)
• Refractive Index: n20/D 1.503(lit.)
• Boiling Point: 376.6 °C at 760 mmHg
• PKA: 10.14±0.15(Predicted)
• Flash Point: 216.5 °C
• PSA: 20.23000
• Density: 0.918g/cm³
• LogP: 5.85560
• XLogP3: 7.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 262.229665576
• Heavy Atom Count: 19
• Complexity: 182

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Dodecylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Phenols
• Canonical SMILES: CCCCCCCCCCCCC1=CC=C(C=C1)O

Technology Process of 4-Dodecylphenol

There total 33 articles about 4-Dodecylphenol 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%

Allyl p-dodecylphenyl ether → 4-dodecylphenol (104-43-8)

Guidance literature:

With trisodium tris(3-sulfophenyl)phosphine; water; diethylamine; palladium diacetate; heptakis(2,6-di-O-methyl)cyclomaltoheptaose; In n-heptane; at 20 ℃; for 200h;

Reference yield: 81.0%

1-dodecyl-4-methoxy-benzene (22161-92-8) → 4-dodecylphenol (104-43-8)

Guidance literature:

With boron tribromide; In dichloromethane; at -80 - 20 ℃; for 12h;

DOI:10.1039/c9tc06456g

Reference yield: 60.0%

1-(4-hydroxyphenyl)dodecane-1-one (2589-74-4) → 4-dodecylphenol (104-43-8)

Guidance literature:

With hydrogenchloride; mercury; zinc;

upstream raw materials:

1-dodecyl-4-methoxy-benzene

1-(4-hydroxy-phenyl)-decan-1-one

1-(4-hydroxyphenyl)dodecane-1-one

4-dodecylaniline

Downstream raw materials:

4-dodecylcyclohexanol

4-dodecyl-2-nitrophenol

dichlorophosphoric acid-(4-dodecyl-phenyl ester)

3-(4-dodecyl-phenoxy)-propane-1,2-diol

Refernces

• 1、 -. "Synthesis of 4 - n-alkyl substituted phenol method". Paragraph 0021-0024. . Retrieved 2018/04/01.
• 2、 Tahara, Kazukuni,Yamamoto, Yuki,Gross, Dustin E.,Kozuma, Hiroyoshi,Arikuma, Yoko,Ohta, Koji,Koizumi, Yoshiko,Gao, Yuan,Shimizu, Yo,Seki, Shu,Kamada, Kenji,Moore, Jeffrey S.,Tobe, Yoshito. "Syntheses and properties of graphyne fragments: Trigonally expanded dehydrobenzo[12]annulenes". supporting information. p. 11251 - 11260. Retrieved 2013/09/02.