Phenethyl decanoate

Base Information

• Chemical Name: Phenethyl decanoate
• CAS No.: 61810-55-7
• Molecular Formula: C18H28O2
• Molecular Weight: 276.419
• Hs Code.: 2915900090
• European Community (EC) Number: 263-237-0
• UNII: B4IWO45796
• DSSTox Substance ID: DTXSID80210807
• Nikkaji Number: J306.902H
• Wikidata: Q27274355
• Metabolomics Workbench ID: 45547
• Mol file: 61810-55-7.mol

Synonyms:Phenethyl decanoate;2-Phenylethyl decanoate;61810-55-7;Decanoic acid, 2-phenylethyl ester;UNII-B4IWO45796;B4IWO45796;EINECS 263-237-0;Phenylethyl N-decanoate;PHENETHYL CAPRATE;Decanoic acid phenethyl ester;SCHEMBL3506704;FEMA NO. 4314;DTXSID80210807;CHEBI:171731;.BETA.-PHENYLETHYL CAPRATE;PHENETHYL DECANOATE [FHFI];Q27274355

Chemical Property of Phenethyl decanoate

Chemical Property:

• Vapor Pressure: 1.3E-05mmHg at 25°C
• Refractive Index: 1.488
• Boiling Point: 368.2 °C at 760 mmHg
• Flash Point: 114.4 °C
• PSA: 26.30000
• Density: 0.95 g/cm³
• LogP: 4.91300
• XLogP3: 6.1
• 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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC(=O)OCCC1=CC=CC=C1

Technology Process of Phenethyl decanoate

There total 5 articles about Phenethyl decanoate 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: 90.0%

1-decanoic acid (334-48-5) + C16H23N2OPol → phenethyl decanoate (61810-55-7)

Guidance literature:

In acetonitrile; at 150 ℃; for 0.0833333h; Microwave irradiation; solid phase reaction;

DOI:10.1021/jo900476y

Reference yield: 85.0%

1-decanoic acid (334-48-5) + 2-phenylethanol (60-12-8) → phenethyl decanoate (61810-55-7)

Guidance literature:

With 1,3-diazido-propane; triphenylphosphine; In neat (no solvent); at 20 ℃; for 0.166667h;

DOI:10.1016/j.tetlet.2015.10.073

Reference yield: 56.0%

N-decanoylbenzoylsaccharin (41643-14-5) + 2-phenylethyl chloride (622-24-2) → phenethyl decanoate (61810-55-7)

Guidance literature:

With dmap; caesium carbonate; In acetonitrile; for 12h; Heating; Sealed tube; Inert atmosphere;

DOI:10.1055/s-0039-1690178

upstream raw materials:

1-decanoic acid

2-phenylethanol

N-decanoylbenzoylsaccharin

2-phenylethyl chloride

Refernces

• 1、 Dinesh, Murugan,Ranganathan, Raja,Archana, Sivasubramaniyan,Sathishkumar, Murugan,Roshan Banu, Mohamed Sulthan,Ponnuswamy, Alagusundaram. "Staudinger’s phosphazene as an efficient esterifying reagent". supporting information. p. 1454 - 1460. Retrieved 2016/09/14.
• 2、 Chighine, Alessandra,Crosignani, Stefano,Arnal, Marie-Claire,Bradley, Mark,Linclau, Bruno. "Microwave-assisted ester formation using O-alkylisoureas: A convenient method for the synthesis of esters with inversion of configuration". experimental part. p. 4753 - 4762. Retrieved 2009/10/17.