16-Hentriacontanone

Base Information

• Chemical Name: 16-Hentriacontanone
• CAS No.: 502-73-8
• Molecular Formula: C31H62 O
• Molecular Weight: 450.833
• Hs Code.: 2914190090
• European Community (EC) Number: 207-952-8
• NSC Number: 953
• UNII: GR7I8IC3NO
• DSSTox Substance ID: DTXSID00198239
• Nikkaji Number: J129.701E
• Wikidata: Q27106854
• Metabolomics Workbench ID: 5411
• Mol file: 502-73-8.mol

Synonyms:Dipentadecylketone; NSC 953; Palmitone; Pentadecyl ketone

Chemical Property of 16-Hentriacontanone

Chemical Property:

• Vapor Pressure: 4.14E-10mmHg at 25°C
• Melting Point: 84 °C
• Refractive Index: 1.4901 (estimate)
• Boiling Point: 499.5°C at 760 mmHg
• Flash Point: 35.6°C
• PSA: 17.07000
• Density: 0.838g/cm³
• LogP: 11.51810
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly)
• XLogP3: 14.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 28
• Exact Mass: 450.480066597
• Heavy Atom Count: 32
• Complexity: 316

Purity/Quality:

97% ^*data from raw suppliers

Hentriacontan-16-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCC

Technology Process of 16-Hentriacontanone

There total 36 articles about 16-Hentriacontanone 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: 96.0%

methyl α-palmitoyl palmitate (60715-65-3) → palmitone (502-73-8)

Guidance literature:

With sodio-propane-1,2-diol in anhydrous propane-1,2-diol; at 80 - 85 ℃; for 0.5h;

DOI:10.1016/S0040-4039(00)86215-2

Reference yield: 83.0%

α-Tetradecyl-β-keto-stearinsaeureethylester (119119-53-8) → palmitone (502-73-8)

Guidance literature:

With potassium hydroxide; ethanol; for 15h; Reflux; Inert atmosphere;

DOI:10.1021/ja805974g

Reference yield: 44.5%

1-hexadecylcarboxylic acid (57-10-3) → palmitone (502-73-8)

Guidance literature:

manganese(IV) oxide; at 300 ℃; for 4h; Product distribution / selectivity; Sealed tube; Inert atmosphere;

upstream raw materials:

hexadecanoic acid methyl ester

sodium palmitate

1-hexadecylcarboxylic acid

hexadecanoic acid ethyl ester

Downstream raw materials:

hentriacontane

16-hentriacontanol

16-butyl-hentriacontan-16-ol

1-dodecene