Heptadecyl acetate

Base Information

• Chemical Name: Heptadecyl acetate
• CAS No.: 822-20-8
• Molecular Formula: C19H38O2
• Molecular Weight: 298.51
• European Community (EC) Number: 212-492-6
• DSSTox Substance ID: DTXSID20231612
• Nikkaji Number: J110.938C
• Wikidata: Q83112552
• Metabolomics Workbench ID: 4026
• Mol file: 822-20-8.mol

Synonyms:Heptadecyl acetate;822-20-8;ACETIC ACID N-HEPTADECYL ESTER;1-Heptadecanol, acetate;ACETICACIDN-HEPTADECYLESTER;EINECS 212-492-6;AI3-35923;Heptadecanyl acetate;n-Heptadecyl acetate;1-Heptadecyl acetate;3-Tetradecylpropanol acetate;Acetic Acid Heptadecyl Ester;SCHEMBL1301670;DTXSID20231612;CHEBI:179623;LMFA07010381;MFCD00056220;A1313;CS-0205036;FT-0632979;D88413

Chemical Property of Heptadecyl acetate

Chemical Property:

• Vapor Pressure: 0.000129mmHg at 25°C
• Melting Point: 30.24°C
• Refractive Index: 1.4483 (estimate)
• Boiling Point: 334.3°C at 760 mmHg
• Flash Point: 24 °C
• PSA: 26.30000
• Density: 0.863g/cm³
• LogP: 6.42090
• Storage Temp.: 0-10°C
• XLogP3: 8.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 17
• Exact Mass: 298.287180451
• Heavy Atom Count: 21
• Complexity: 214

Purity/Quality:

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

Heptadecyl Acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCOC(=O)C

Technology Process of Heptadecyl acetate

There total 4 articles about Heptadecyl 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:

1-Heptadecanol (1454-85-9) + acetic anhydride (108-24-7) → heptadecyl acetate (822-20-8)

Guidance literature:

With pyridine;

DOI:10.1023/A:1015288726605

Reference yield:

1-bromoheptadecane (3508-00-7) + silver(I) acetate (563-63-3) → heptadecyl acetate (822-20-8)

Guidance literature:

at 150 ℃;

Reference yield:

heptadeca-2t,8t,10t,16-tetraene-4,6-diyn-1-ol (13081-27-1) + acetic anhydride (108-24-7) → heptadecyl acetate (822-20-8)

Guidance literature:

Multistep reaction; (i) H₂, Pd-BaSO₄, (ii) /BRN= 385737/;

upstream raw materials:

1-bromoheptadecane

silver(I) acetate

heptadeca-2t,8t,10t,16-tetraene-4,6-diyn-1-ol

acetic anhydride

Downstream raw materials:

1-undecene

heptadec-1-ene

o-xylene

2-Ethyltoluene

Refernces

• 1、 -. "SULFUR INHIBITORS OF PHOSPHOLIPASE A-Z". . . Retrieved 2008/06/13.