Phenyl stearate

Base Information

• Chemical Name: Phenyl stearate
• CAS No.: 637-55-8
• Molecular Formula: C24H40O2
• Molecular Weight: 360.58
• Hs Code.: 29157000
• European Community (EC) Number: 211-291-0
• NSC Number: 57588
• DSSTox Substance ID: DTXSID1060922
• Nikkaji Number: J134.374B
• Wikidata: Q81989230
• Mol file: 637-55-8.mol

Synonyms:Phenyl stearate;637-55-8;Octadecanoic acid, phenyl ester;phenyl octadecanoate;Stearic Acid Phenyl Ester;Stearic acid, phenyl ester;PHENYLSTEARATE;EINECS 211-291-0;NSC 57588;AI3-01770;NCIOpen2_007662;SCHEMBL542592;DTXSID1060922;NSC57588;MFCD00026663;NSC-57588;AKOS024319321;HY-W127545;CS-0185770;FT-0632707;O0007;D91784

Chemical Property of Phenyl stearate

Chemical Property:

• Appearance/Colour: white to off-white powder
• Vapor Pressure: 2.4E-08mmHg at 25°C
• Melting Point: 47-54 °C
• Refractive Index: 1.483
• Boiling Point: 451.6 °C at 760 mmHg
• Flash Point: 143.2 °C
• PSA: 26.30000
• Density: 0.921 g/cm³
• LogP: 7.85350
• XLogP3: 10.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 18
• Exact Mass: 360.302830514
• Heavy Atom Count: 26
• Complexity: 307

Purity/Quality:

98%,99%, ^*data from raw suppliers

Phenyl Stearate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Phenyl stearate

There total 6 articles about Phenyl stearate 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%

bis(phenyl) carbonate (102-09-0) + stearic acid (57-11-4) → phenyl stearate (637-55-8)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In neat (no solvent); at 160 ℃; for 24h; Green chemistry;

DOI:10.1039/c5ra10206e

Reference yield: 81.0%

stearic acid (57-11-4) + phenol (108-95-2,27073-41-2) → phenyl stearate (637-55-8)

Guidance literature:

With acid activated Indian bentonite; In o-xylene; for 6h; Heating;

Reference yield: 27.0%

1,2-dihydro-2-phenoxycarbonylisoquinoline-1-carbonitrile (17954-26-6) + stearic acid (57-11-4) → phenyl stearate (637-55-8)

Guidance literature:

at 135 ℃; for 2.5h;

upstream raw materials:

stearic acid

phenol

Stearoyl chloride

1,2-dihydro-2-phenoxycarbonylisoquinoline-1-carbonitrile

Downstream raw materials:

octadec-1-ene

1-octadecanol

1-(4-hydroxy-phenyl)-octadecan-1-one

1-(2-hydroxy-phenyl)-octadecan-1-one

Refernces

• 1、 Hosseini-Sarvari, Mona,Sodagar, Esmat. "Esterification of free fatty acids (Biodiesel) using nano sulfated-titania as catalyst in solvent-free conditions". . p. 229 - 238. Retrieved 2013/05/09.
• 2、 Popp, Frank D.,Duarte, Frederick F.,Uff, Barrie C.. "The Reaction of N-Carboalkoxy Reissert Analogs with Carboxylic Acids". . p. 1353 - 1355. Retrieved 2007/10/02.