Cyclododecyl acetate

Base Information

• Chemical Name: Cyclododecyl acetate
• CAS No.: 6221-92-7
• Molecular Formula: C14H26 O2
• Molecular Weight: 226.359
• Hs Code.: 2915390090
• European Community (EC) Number: 228-297-4
• DSSTox Substance ID: DTXSID60863714
• Nikkaji Number: J76.404C
• Wikidata: Q82854470
• Mol file: 6221-92-7.mol

Synonyms:Cyclododecyl acetate;6221-92-7;Cyclododecanol, acetate;Cyclododecanol, 1-acetate;EINECS 228-297-4;SCHEMBL5167284;DTXSID60863714

Chemical Property of Cyclododecyl acetate

Chemical Property:

• Vapor Pressure: 0.00321mmHg at 25°C
• Boiling Point: 283.2°C at 760 mmHg
• Flash Point: 128.4°C
• PSA: 26.30000
• Density: 0.92g/cm³
• LogP: 4.22280
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 226.193280068
• Heavy Atom Count: 16
• Complexity: 177

Purity/Quality:

99% ^*data from raw suppliers

CYCLODODECYL ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CCCCCCCCCCC1

Technology Process of Cyclododecyl acetate

There total 17 articles about Cyclododecyl 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: 99.0%

cyclododecanol (1724-39-6) + acetic anhydride (108-24-7) → cyclododecyl acetate (6221-92-7)

Guidance literature:

With 4-N,N-dimethylaminopyridinium saccharinate; at 25 ℃; for 8h; Inert atmosphere; Neat (no solvent);

DOI:10.1039/c1cc11556a

Reference yield: 99.0%

cyclododecanol (1724-39-6) + ethyl acetate (141-78-6) → cyclododecyl acetate (6221-92-7)

Guidance literature:

With lanthanum(III) isopropoxide; 2-(2-methoxyethoxy)ethyl alcohol; In hexane; chemoselective reaction; Reflux;

DOI:10.1021/ol102753n

Reference yield: 98.0%

cyclododecanol (1724-39-6) + acetic acid (64-19-7,77671-22-8) → cyclododecyl acetate (6221-92-7)

Guidance literature:

With potassium fluoride; at 80 ℃; for 7h;

DOI:10.1081/SCC-200026245

upstream raw materials:

cyclododecanol

acetic anhydride

Cyclododecylmethylketon

lead(IV) tetraacetate

Downstream raw materials:

2-bromocyclododecan-1-one

cyclododecanol

cyclododecane

triphenylsilyl acetate