Octadecyl acetate

Base Information

• Chemical Name: Octadecyl acetate
• CAS No.: 822-23-1
• Molecular Formula: C20H40O2
• Molecular Weight: 312.536
• European Community (EC) Number: 212-493-1
• NSC Number: 5546
• UNII: A8005KSX95
• DSSTox Substance ID: DTXSID4047759
• Nikkaji Number: J45.697G
• Wikidata: Q27273742
• Metabolomics Workbench ID: 4043
• Mol file: 822-23-1.mol

Synonyms:Octadecyl acetate;Stearyl acetate;822-23-1;Acetic acid, octadecyl ester;1-Octadecanol acetate;n-Octadecyl ethanoate;Acetic Acid Octadecyl Ester;Acetic acid n-octadecyl ester;n-Octadecyl acetate;UNII-A8005KSX95;A8005KSX95;NSC 5546;NSC-5546;EINECS 212-493-1;AI3-08310;72269-30-8;Acetic acid stearyl ester;Octadecylacetate;Octadecanol acetate;1-Octadecyl acetate;MFCD00043649;AEC STEARYL ACETATE;Stearyl acetate, >=99%;SCHEMBL131668;STEARYL ACETATE [INCI];DTXSID4047759;NSC5546;CHEBI:179720;LMFA07010398;AKOS015839802;FS-4060;HY-W127605;A0675;CS-0185813;FT-0676051;D88305;Q27273742

Chemical Property of Octadecyl acetate

Chemical Property:

• Vapor Pressure: 6.51E-05mmHg at 25°C
• Melting Point: 32.84°C
• Refractive Index: 1.445
• Boiling Point: 344.6 °C at 760 mmHg
• Flash Point: 156.5 °C
• PSA: 26.30000
• Density: 0.862g/cm³
• LogP: 6.81100
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• XLogP3: 8.8
• 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:

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

StearylAcetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCOC(=O)C
• Uses: Stearyl Acetate is a sex pheromone found in the males of the castniid palm borer, paysandisia exhibited in their courtship behavior.

Technology Process of Octadecyl acetate

There total 12 articles about Octadecyl acetate 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%

1-octadecanol (112-92-5) + acetic anhydride (108-24-7) → stearyl acetate (822-23-1)

Guidance literature:

With trimethylsilyl trifluoromethanesulfonate; In dichloromethane; at 0 ℃; for 0.00833333h;

DOI:10.1039/cc9960002625

Reference yield: 99.0%

1-octadecanol (112-92-5) + ethyl acetate (141-78-6) → stearyl acetate (822-23-1)

Guidance literature:

With C₁₂F₁₈O₁₃Zn₄; for 38h; Reflux; Inert atmosphere;

DOI:10.1055/s-0029-1217335

Reference yield: 99.0%

1-octadecanol (112-92-5) + acetic acid (64-19-7,77671-22-8) → stearyl acetate (822-23-1)

Guidance literature:

With sulfonic acid-functionalized periodic mesoporous organosilicas with ethyl bridging group; at 60 ℃; for 24h;

DOI:10.1039/c5cy00267b

upstream raw materials:

n-octadecyl p-toluenesulfonate

potassium acetate

phosphoric acid trioctadecyl ester

acetic anhydride

Downstream raw materials:

octadecane

1-octadecanol

octadec-1-ene

Refernces

• 1、 -. "Preparation method of rice borer pheromone component". . . Retrieved 2019/05/15.
• 2、 Karimi, Babak,Mirzaei, Hamid M.,Mobaraki, Akbar,Vali, Hojatollah. "Sulfonic acid-functionalized periodic mesoporous organosilicas in esterification and selective acylation reactions". . p. 3624 - 3631. Retrieved 2015/07/01.