Hexadecyl acetate

Base Information

• Chemical Name: Hexadecyl acetate
• CAS No.: 629-70-9
• Molecular Formula: C18H36 O2
• Molecular Weight: 284.483
• European Community (EC) Number: 211-103-7
• NSC Number: 8492
• UNII: 4Q43814HXS
• DSSTox Substance ID: DTXSID2052312
• Nikkaji Number: J45.696I
• Wikidata: Q27260353
• RXCUI: 1364378
• Metabolomics Workbench ID: 4024
• ChEMBL ID: CHEMBL137354
• Mol file: 629-70-9.mol

Synonyms:Palmityl acetate;Hexadecyl acetate;Cetyl acetate;629-70-9;1-Hexadecanol, acetate;1-Acetoxyhexadecane;n-Hexadecyl ethanoate;Acetic acid, hexadecyl ester;ENT 1025;Hexadecanol acetate;1-HEXADECANOL ACETATE;1-Hexadecanol, 1-acetate;NSC 8492;n-hexadecyl acetate;EINECS 211-103-7;BRN 1782695;UNII-4Q43814HXS;AI3-01025;4Q43814HXS;NSC-8492;4-02-00-00171 (Beilstein Handbook Reference);PALMITYLACETATE;acetato palmitil;Acelan A;hexadecanyl acetate;acetato Hexadecanol;1-Acetoxihexadecane;acetato de hexadecil;Acetic acid hexadecyl;PELEMOL CA;1-Hexadecanol, acetato;1-hexadecanol, 1-acetato;Acetic acid hexadecyl ester;CETYL ACETATE [INCI];SCHEMBL118101;CHEMBL137354;DTXSID2052312;NSC8492;CHEBI:146185;LMFA07010379;MFCD00056152;AKOS024390930;HY-W127540;1-Hexadecanol acetate (6CI7CI8CI9CI);AS-10426;LS-74857;CS-0185766;E82294;Q27260353

Chemical Property of Hexadecyl acetate

Chemical Property:

• Vapor Pressure: 0.00026mmHg at 25°C
• Melting Point: 24.2°C
• Refractive Index: 1.4439 (estimate)
• Boiling Point: 323.5°C at 760 mmHg
• Flash Point: 146.1°C
• PSA: 26.30000
• Density: 0.864g/cm³
• LogP: 6.03080
• Storage Temp.: −20°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 7.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 284.271530387
• Heavy Atom Count: 20
• Complexity: 202

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Esters, Other
• Canonical SMILES: CCCCCCCCCCCCCCCCOC(=O)C
• Uses: Hexadecyl Acetate is a plant sex pheromone.

Technology Process of Hexadecyl acetate

There total 27 articles about Hexadecyl 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-Hexadecanol (36653-82-4,124-29-8) + ethyl acetate (141-78-6) → hexadecyl acetate (629-70-9)

Guidance literature:

With carbon tetrabromide; triphenylphosphine; for 23h; Ambient temperature;

DOI:10.1016/S0040-4020(98)00255-5

Reference yield: 100.0%

1-(2-tetrahydropyranyloxy)hexadecane (58587-19-2) + ethyl acetate (141-78-6) → hexadecyl acetate (629-70-9)

Guidance literature:

With carbon tetrabromide; water; triphenylphosphine; Ambient temperature;

DOI:10.1016/S0040-4020(98)00255-5

Reference yield: 99.0%

trimethylsilyl acetate (2754-27-0) + 1-Hexadecanol (36653-82-4,124-29-8) → hexadecyl acetate (629-70-9)

Guidance literature:

With trifluorormethanesulfonic acid; In neat (no solvent); at 0 - 20 ℃; for 4h; Inert atmosphere;

DOI:10.1055/a-1654-2211

upstream raw materials:

Ketene

1-Hexadecanol

sodium acetate

1-Chlorohexadecan

Downstream raw materials:

1-Hexadecene

Refernces

• 1、 Basumatary, Grace,Bez, Ghanashyam. "Ethyl acetate as an acetyl surrogate for the iodine catalyzed acetylation of alcohols". supporting information. p. 4312 - 4315. Retrieved 2017/10/13.
• 2、 Mobaraki, Akbar,Movassagh, Barahman,Karimi, Babak. "Hydrophobicity-enhanced magnetic solid sulfonic acid: A simple approach to improve the mass transfer of reaction partners on the surface of the heterogeneous catalyst in water-generating reactions". . p. 123 - 133. Retrieved 2014/01/23.