3-Octadecanone

Base Information

• Chemical Name: 3-Octadecanone
• CAS No.: 18261-92-2
• Molecular Formula: C18H36 O
• Molecular Weight: 268.483
• Hs Code.: 2914190090
• European Community (EC) Number: 242-132-3
• NSC Number: 229418
• UNII: 6E54YCX3QT
• DSSTox Substance ID: DTXSID10171311
• Nikkaji Number: J112.396C
• Wikidata: Q63409471
• Mol file: 18261-92-2.mol

Synonyms:3-Octadecanone;Octadecan-3-one;18261-92-2;EINECS 242-132-3;NSC-229418;Aethylpentadecylketon;NSC229418;6E54YCX3QT;SCHEMBL2782616;DTXSID10171311;AKOS024333781;NSC 229418;CS-0449193;FT-0616279;Q63409471

Chemical Property of 3-Octadecanone

Chemical Property:

• Vapor Pressure: 0.000195mmHg at 25°C
• Melting Point: 51°C
• Refractive Index: 1.4494 (estimate)
• Boiling Point: 328°Cat760mmHg
• Flash Point: 73.2°C
• PSA: 17.07000
• Density: 0.831g/cm³
• LogP: 6.44680
• XLogP3: 7.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 15
• Exact Mass: 268.276615768
• Heavy Atom Count: 19
• Complexity: 186

Purity/Quality:

99% ^*data from raw suppliers

3-Octadecanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)CC

Technology Process of 3-Octadecanone

There total 12 articles about 3-Octadecanone 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:

ethyl iodide (75-03-6) → octadecan-3-one (18261-92-2)

Guidance literature:

With zinc copper; ethyl acetate; toluene; und anschliessend mit Hexanoylchlorid;

Reference yield:

propionic acid (802294-64-0,79-09-4) + 1-hexadecylcarboxylic acid (57-10-3) → octadecan-3-one (18261-92-2)

Guidance literature:

With thorium dioxide; at 430 ℃;

DOI:10.1038/sj.bjp.0704332

Reference yield:

diethylzinc (557-20-0) + n-hexadecanoyl chloride (112-67-4) → octadecan-3-one (18261-92-2)

Guidance literature:

upstream raw materials:

ethyl iodide

propionic acid

1-hexadecylcarboxylic acid

diethylzinc

Downstream raw materials:

(R)-3-octadecanol

octadecane

n-Octadecanol-(3)