Tetradecyl benzoate

Base Information

• Chemical Name: Tetradecyl benzoate
• CAS No.: 70682-72-3
• Molecular Formula: C21H34O2
• Molecular Weight: 318.5
• European Community (EC) Number: 274-753-0
• UNII: 76OEO03Y04
• DSSTox Substance ID: DTXSID70887542
• Nikkaji Number: J288.765G
• Wikidata: Q27266500
• Mol file: 70682-72-3.mol

Synonyms:Tetradecyl benzoate;70682-72-3;Myristyl benzoate;1-Tetradecanol, benzoate;1-Tetradecanol, 1-benzoate;UNII-76OEO03Y04;76OEO03Y04;EINECS 274-753-0;tetradecylbenzoate;Benzoic acid n-tetradecyl ester;1-Tetradecanol benzoate;N-TETRADECYL BENZOATE;Benzoic acid, tetradecyl ester;SCHEMBL1691929;DTXSID70887542;MFCD28971869;AKOS024437758;AS-60433;CS-0160266;D80971;Q27266500

Chemical Property of Tetradecyl benzoate

Chemical Property:

• Vapor Pressure: 5.06E-07mmHg at 25°C
• Boiling Point: 412.7°Cat760mmHg
• Flash Point: 174.4°C
• PSA: 26.30000
• Density: 0.931g/cm³
• LogP: 6.54450
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 318.255880323
• Heavy Atom Count: 23
• Complexity: 269

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Tetradecyl benzoate

There total 4 articles about Tetradecyl 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: 89.0%

1-Tetradecanol (112-72-1) + benzoic acid ethyl ester (93-89-0,99341-95-4) → n-tetradecyl benzoate (70682-72-3)

Guidance literature:

With lithium hexamethyldisilazane; In neat (no solvent); at 0 - 20 ℃; for 3h;

DOI:10.1016/j.catcom.2020.106194

Reference yield: 83.0%

benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) + 1-Tetradecanol (112-72-1) → n-tetradecyl benzoate (70682-72-3)

Guidance literature:

With lithium hexamethyldisilazane; In neat (no solvent); at 0 - 20 ℃; for 3h;

DOI:10.1016/j.catcom.2020.106194

Reference yield: 83.0%

1-Tetradecanol (112-72-1) + benzoic acid benzyl ester (120-51-4) → n-tetradecyl benzoate (70682-72-3)

Guidance literature:

With lithium hexamethyldisilazane; In neat (no solvent); at 0 - 20 ℃; for 3h;

DOI:10.1016/j.catcom.2020.106194

upstream raw materials:

benzoic acid methyl ester

1-Tetradecanol

benzoic acid ethyl ester

benzoic acid benzyl ester