Phenyl laurate

Base Information

• Chemical Name: Phenyl laurate
• CAS No.: 4228-00-6
• Molecular Formula: C18H28O2
• Molecular Weight: 276.419
• Hs Code.: 2915900090
• European Community (EC) Number: 224-178-6
• DSSTox Substance ID: DTXSID0063367
• Nikkaji Number: J205.652F
• Wikidata: Q81990693
• Mol file: 4228-00-6.mol

Synonyms:Phenyl laurate;phenyl dodecanoate;4228-00-6;Dodecanoic acid, phenyl ester;Lauric acid, phenyl ester;EINECS 224-178-6;Phenyllaurat;Lauric acid phenyl ester;Dodecanoic acid phenyl ester;SCHEMBL727215;DTXSID0063367;MFCD00041917;AKOS005146345;DS-1601;AM20040446;CS-0152241;FT-0651447;S10665;A872917;J-523935

Chemical Property of Phenyl laurate

Chemical Property:

• Vapor Pressure: 1.46E-05mmHg at 25°C
• Melting Point: 24.5°C
• Refractive Index: 1.486
• Boiling Point: 366.478 °C at 760 mmHg
• Flash Point: 123.9 °C
• PSA: 26.30000
• Density: 0.946 g/cm³
• LogP: 5.51290
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 276.208930132
• Heavy Atom Count: 20
• Complexity: 232

Purity/Quality:

99% ^*data from raw suppliers

Phenyl dodecanoate 95+% ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC(=O)OC1=CC=CC=C1

Technology Process of Phenyl laurate

There total 6 articles about Phenyl laurate 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: 86.0%

lauric acid (143-07-7) + phenol (108-95-2,27073-41-2) → lauric acid phenyl ester (4228-00-6)

Guidance literature:

With thionyl chloride;

Reference yield: 45.5%

n-dodecanoyl chloride (112-16-3) + phenol (108-95-2,27073-41-2) → lauric acid phenyl ester (4228-00-6)

Guidance literature:

In diethyl ether; Heating;

DOI:10.1007/s00044-010-9383-5

Reference yield:

lauric acid (143-07-7) → lauric acid phenyl ester (4228-00-6)

Guidance literature:

Multi-step reaction with 2 steps

1: phosphorus pentachloride

With phosphorus pentachloride;

upstream raw materials:

lauric acid

phenol

n-dodecanoyl chloride

triphenylbismuth dilauroate

Downstream raw materials:

lauric acid

dodecyloxybenzene

C₁₈H₃₀N₂O

bis(2-hydroxy-5-n-dodecylphenyl)methane

Refernces

• 1、 Yang, Fang,Li, Gang,Xu, Nian,Liu, Rong,Zhang, Song-Mei,Wu, Zeng-Jiang. "Synthesis and critical micelle concentration of a series of gemini alkylphenol polyoxyethylene nonionic surfactants". experimental part. p. 339 - 345. Retrieved 2012/06/30.
• 2、 Vijayakumar,Iyengar, Pushpa,Nagendrappa, Gopalpur,Prakash, B. S. Jai. "An eco-friendly method for the synthesis of aryl and alkyl esters of carboxylic acids using acid activated Indian bentonite". . p. 922 - 925. Retrieved 2007/10/03.