Benzyl palmitate

Base Information

• Chemical Name: Benzyl palmitate
• CAS No.: 41755-60-6
• Molecular Formula: C23H38O2
• Molecular Weight: 346.554
• UNII: V5DZS5IE7C
• ChEMBL ID: CHEMBL136551
• DSSTox Substance ID: DTXSID10194580
• Nikkaji Number: J161.155K
• Wikidata: Q27291558
• Mol file: 41755-60-6.mol

Synonyms:Benzyl palmitate;palmitic acid benzyl ester;Benzyl hexadecanoate;41755-60-6;Hexadecanoic acid, phenylmethyl ester;V5DZS5IE7C;Hexadecanoic acid benzyl ester;UNII-V5DZS5IE7C;CHEMBL136551;SCHEMBL1356933;DTXSID10194580;AS-76852;D93467;Q27291558

Chemical Property of Benzyl palmitate

Chemical Property:

• Melting Point: 36°C
• Refractive Index: 1.4689 (estimate)
• Boiling Point: 441.26°C (rough estimate)
• PSA: 26.30000
• Density: 0.9109
• LogP: 7.21110
• XLogP3: 8.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 17
• Exact Mass: 346.287180451
• Heavy Atom Count: 25
• Complexity: 295

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCC1=CC=CC=C1

Technology Process of Benzyl palmitate

There total 7 articles about Benzyl palmitate 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%

1-hexadecylcarboxylic acid (57-10-3) + benzyl alcohol (100-51-6,185532-71-2) → benzyl hexadecanoate (41755-60-6)

Guidance literature:

With monoammonium 12-tungstophosphate; for 12h; Heating;

DOI:10.1080/00397910500328266

Reference yield: 96.0%

C28H40N2O2 (105769-57-1) + sodium phenyl-methanolate (20194-18-7) → benzyl hexadecanoate (41755-60-6)

Guidance literature:

In tetrahydrofuran; Ambient temperature;

DOI:10.1246/cl.1986.871

Reference yield: 92.0%

C28H40N2O2 (105769-57-1) + benzyl alcohol (100-51-6,185532-71-2) → benzyl hexadecanoate (41755-60-6)

Guidance literature:

zinc(II) chloride; In dichloromethane; acetonitrile; for 18h; Ambient temperature;

DOI:10.1246/cl.1986.871

upstream raw materials:

sodium palmitate

benzyl chloride

benzyl alcohol

n-hexadecanoyl chloride

Downstream raw materials:

butyl palmitate

hexadecanoic acid methyl ester

Refernces

• 1、 Giri,Prabhavathi Devi,Gangadhar,Narasimha Rao,Lingaiah,Sai Prasad,Prasad. "Selective esterification of aliphatic carboxylic acids in the presence of aromatic carboxylic acids over monoammonium salt of 12-tungstophosphoric acid". . p. 7 - 11. Retrieved 2007/10/03.
• 2、 Shekarriz, Marzieh,Taghipoor, Sohrab,Khalili, Ali Asghar,Jamarani, Mohammad Soleymani. "Esterification of carboxylic acids with alcohols under microwave irradiation in the presence of zinc triflatet". . p. 172 - 173. Retrieved 2007/10/03.