Dodecyl benzoate

Base Information

• Chemical Name: Dodecyl benzoate
• CAS No.: 2915-72-2
• Deprecated CAS: 27615-31-2
• Molecular Formula: C19H30O2
• Molecular Weight: 290.446
• Hs Code.: 2916310090
• European Community (EC) Number: 270-112-4,220-837-7
• UNII: N4F51K239A
• DSSTox Substance ID: DTXSID1062706
• Nikkaji Number: J306.841B
• Wikidata: Q27284544
• RXCUI: 1310548
• ChEMBL ID: CHEMBL472518
• Mol file: 2915-72-2.mol

Synonyms:Dodecyl benzoate;2915-72-2;Benzoic acid, dodecyl ester;Lauryl benzoate;68411-27-8;Benzoic acid dodecyl ester;UNII-A9EJ3J61HQ;UNII-N4F51K239A;N4F51K239A;EINECS 220-837-7;EINECS 270-112-4;EC 270-112-4;dodecylbenzoate;Tegosoft tn;n-dodecyl benzoate;A9EJ3J61HQ;SCHEMBL526616;CHEMBL472518;DTXSID1062706;CAA91572;MFCD07787440;AKOS015965336;AC-20375;AS-58966;CS-0160270;FT-0777850;D81800;Q27284544

Chemical Property of Dodecyl benzoate

Chemical Property:

• Vapor Pressure: 4.36E-06mmHg at 25°C
• Melting Point: 167℃
• Refractive Index: 1.487
• Boiling Point: 383.6 °C at 760 mmHg
• Flash Point: 162 °C
• PSA: 26.30000
• Density: 0.94 g/cm³
• LogP: 5.76430
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 7.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 290.224580195
• Heavy Atom Count: 21
• Complexity: 244

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCOC(=O)C1=CC=CC=C1

Technology Process of Dodecyl benzoate

There total 34 articles about Dodecyl benzoate 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: 97.0%

iodobenzene (591-50-4) + cyclopentadienyl iron(II) dicarbonyl dimer (38117-54-3) + 1-dodecyl alcohol (112-53-8) → dodecyl benzoate (2915-72-2)

Guidance literature:

With dmap; palladium diacetate; 1,8-diazabicyclo[5.4.0]undec-7-ene; tricyclohexylphosphine; In toluene; at 110 ℃; for 12h;

DOI:10.1246/cl.2011.904

Reference yield: 95.0%

dibenzoyl disulfide (644-32-6) + 1-dodecyl alcohol (112-53-8) → dodecyl benzoate (2915-72-2)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1021/acs.orglett.6b02818

Reference yield: 92.0%

1-dodecyl alcohol (112-53-8) + benzoyl chloride (98-88-4) → dodecyl benzoate (2915-72-2)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1002/anie.201604921

upstream raw materials:

1-dodecyl alcohol

benzoic acid ethyl ester

benzoyl chloride

benzoic acid

Downstream raw materials:

1-dodecyl alcohol

Refernces

• 1、 Smeyne, Dylan,Verboom, Katherine,Bryan, Maria,LoBue, James,Shaikh, Abid. "Electrochemical esterification via oxidative coupling of aldehydes and alcohols". supporting information. . Retrieved 2021/03/26.
• 2、 Huang, Binbin,Guo, Lin,Xia, Wujiong. "A facile and versatile electro-reductive system for hydrodefunctionalization under ambient conditions". supporting information. p. 2095 - 2103. Retrieved 2021/03/26.