Octyl stearate

Base Information

• Chemical Name: Octyl stearate
• CAS No.: 109-36-4
• Molecular Formula: C26H52O2
• Molecular Weight: 396.698
• Hs Code.: 2915709000
• European Community (EC) Number: 203-666-2
• UNII: 772Y4UFC8B
• DSSTox Substance ID: DTXSID1059367
• Nikkaji Number: J111.088H
• Wikidata: Q27266533
• Mol file: 109-36-4.mol

Synonyms:2-ethylhexyl stearate;octyl stearate

Chemical Property of Octyl stearate

Chemical Property:

• Vapor Pressure: 6.79E-08mmHg at 25°C
• Melting Point: 43-44 °C
• Refractive Index: 1.451
• Boiling Point: 438.7 °C at 760 mmHg
• Flash Point: 225.6 °C
• PSA: 26.30000
• Density: 0.86 g/cm³
• LogP: 9.15160
• XLogP3: 11.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 24
• Exact Mass: 396.396730897
• Heavy Atom Count: 28
• Complexity: 301

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC
• Uses: octyl stearate is an emollient with similar properties to those of octyl palmitate.

Technology Process of Octyl stearate

There total 9 articles about Octyl 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: 98.0%

octanol (111-87-5) + stearic acid (57-11-4) → octyl stearate (109-36-4)

Guidance literature:

With nano sulfated-TiO₂; In neat (no solvent); at 80 ℃; for 1.5h; under 760.051 Torr;

DOI:10.1016/j.crci.2012.10.016

Reference yield: 97.0%

octanol (111-87-5) + Methyl stearate (112-61-8) → methanol (67-56-1) + octyl stearate (109-36-4)

Guidance literature:

With potassium carbonate; tetra(n-butyl)ammonium hydrogensulfate; In neat (no solvent); at 55 ℃; for 2h; Product distribution;

DOI:10.1016/S0040-4039(00)80548-1

Reference yield: 97.0%

octanol (111-87-5) + Octadecanoic acid (Z)-2-dimethylcarbamoyl-1-methyl-vinyl ester (89611-18-7) → octyl stearate (109-36-4)

Guidance literature:

With (1S)-10-camphorsulfonic acid; In dichloromethane; at 40 ℃; other solvent and temperature;

DOI:10.1016/S0040-4039(00)99860-5

upstream raw materials:

1-bromo-octane

silver⁽¹⁺⁾ stearate

octanol

Stearoyl chloride

Refernces

• 1、 Barry, Jean,Bram, Georges,Petit, Alain. "ORGANIC SYNTHESES WITHOUT SOLVENT: BASE-CATALYSED ESTER INTERCHANGE". . p. 4567 - 4568. Retrieved 1988.
• 2、 Bian, Gang,Jiang, Pingping,Zhang, Weijie,Jiang, Kelei,Hu, Ling,Jian, Zhang,Shen, Yirui,Zhang, Pingbo. "A novel poly(p-styrenesulfonic acid) grafted carbon nanotube/graphene oxide architecture with enhanced catalytic performance for the synthesis of benzoate esters and fatty acid alkyl esters". . p. 90757 - 90765. Retrieved 2015/11/16.
• 3、 Gang, Li,Wenhui, Pang. "Esterifications of carboxylic acids and alcohols catalyzed by Al 2(SO4)3 · 18H2O under solvent-free condition". experimental part. p. 559 - 565. Retrieved 2011/01/07.