Ethyl stearate

Base Information

• Chemical Name: Ethyl stearate
• CAS No.: 111-61-5
• Molecular Formula: C20H40 O2
• Molecular Weight: 312.536
• Hs Code.: 2915 70 50
• European Community (EC) Number: 203-887-4
• NSC Number: 8919
• UNII: C64RTC734W
• DSSTox Substance ID: DTXSID5059406
• Nikkaji Number: J10.108G
• Wikidata: Q9344811
• Metabolomics Workbench ID: 46388
• Mol file: 111-61-5.mol

Synonyms:ethyl octadecanoate;ethyl stearate;octadecanoic acid ethyl ester

Chemical Property of Ethyl stearate

Chemical Property:

• Appearance/Colour: white crystalline mass
• Vapor Pressure: 3.01E-05mmHg at 25°C
• Melting Point: 34-38 °C(lit.)
• Refractive Index: 1.4349
• Boiling Point: 213-215 °C15 mm Hg(lit.)
• Flash Point: 161°C
• PSA: 26.30000
• Density: 0.862g/cm³
• LogP: 6.81100
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 8.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 18
• Exact Mass: 312.302830514
• Heavy Atom Count: 22
• Complexity: 226

Purity/Quality:

99% ^*data from raw suppliers

Ethyl Stearate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC
• Uses: A fatty acid ester component of volatile oil from Rhododendron anthopogonoides; shows antimicrobial activity.

Technology Process of Ethyl stearate

There total 40 articles about Ethyl 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: 100.0%

ethyl oleate (6512-99-8) → stearic acid ethyl ester (111-61-5)

Guidance literature:

With sodium tetrahydroborate; (-); In ethanol; at 50 ℃; for 3h;

Reference yield: 100.0%

2-hydroxy-1,1,2-trimethylpropyl ethylcarbamate (743477-27-2) + stearic acid (57-11-4) → 4,4,5,5-tetramethyl-1,3-dioxolan-2-one (19424-29-4) + stearic acid ethyl ester (111-61-5)

Guidance literature:

With tert.-butylnitrite; 3 A molecular sieve; In dichloromethane; at 105 ℃; for 12h;

DOI:10.1246/bcsj.77.1217

Reference yield: 99.0%

octadeca-9,12-dienoic acid ethyl ester (7619-08-1) → stearic acid ethyl ester (111-61-5)

Guidance literature:

With ethanol; (^BQ?NC^OP)IrHCl; sodium t-butanolate; at 60 ℃; for 4h; chemoselective reaction; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1021/jacs.8b01038

upstream raw materials:

glycerol tristearate

ethanol

sodium ethanolate

potassium stearate

Downstream raw materials:

N-stearoylethanolamine

[2-(2-hydroxyethylamino)ethyl]heptadecylamide

3-phenylpropanoic acid methyl ester

N-phenylstearamide

Refernces

• 1、 Morrone,D'Antona,Biondi,Lambusta,Nicolosi. "Preparation of n-3 PUFAs ethyl esters by an efficient biocatalyzed solvent-free process". . p. 173 - 176. Retrieved 2012.
• 2、 Luque, Rafael,Rajabi, Fatemeh. "Highly ordered mesoporous functionalized pyridinium protic ionic liquids framework as efficient system in esterification reactions for biofuels production". . . Retrieved 2020.
• 3、 Brown,C.A.,Brown,H.C.. "-". . p. 2829 - 2830. Retrieved 1962.
• 4、 De Godoi Silva, Vinicius Wilker,Laier, Leticia Oliveira,Silva, Marcio Jose Da. "Novel H3PW12O40: Catalysed esterification reactions of fatty acids at room temperature for biodiesel production". . p. 207 - 211. Retrieved 2010.
• 5、 López-Viveros, Melissa,Favier, Isabelle,Gómez, Montserrat,Lahitte, Jean-Fran?ois,Remigy, Jean-Christophe. "Remarkable catalytic activity of polymeric membranes containing gel-trapped palladium nanoparticles for hydrogenation reactions". . p. 263 - 269. Retrieved 2020/05/13.