2-Pentadecanone

Base Information

• Chemical Name: 2-Pentadecanone
• CAS No.: 2345-28-0
• Molecular Formula: C15H30O
• Molecular Weight: 226.403
• Hs Code.: 2914190090
• European Community (EC) Number: 219-064-8
• UNII: B2Q48J997N
• DSSTox Substance ID: DTXSID6062333
• Nikkaji Number: J97.899J
• Wikidata: Q27161440
• Metabolomics Workbench ID: 5462
• ChEMBL ID: CHEMBL3273567
• Mol file: 2345-28-0.mol

Synonyms:pentadecan-2-one

Chemical Property of 2-Pentadecanone

Chemical Property:

• Vapor Pressure: 0.00304mmHg at 25°C
• Melting Point: 37-41 °C(lit.)
• Refractive Index: 1.436
• Boiling Point: 293.3 °C at 760 mmHg
• Flash Point: 83.9 °C
• PSA: 17.07000
• Density: 0.828g/cm³
• LogP: 5.27650
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Soluble in toluene (almost transparency). Insoluble in water.
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 12
• Exact Mass: 226.229665576
• Heavy Atom Count: 16
• Complexity: 152

Purity/Quality:

99% ^*data from raw suppliers

2-Pentadecanone >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCCC(=O)C
• Uses: It is primarily used as a flavoring substances to impart a fatty, slightly spicy, and floral flavor. 2-Pentadecanone can perfectly compliment and enhance a variety of foods including butters, cheeses and meats.

Technology Process of 2-Pentadecanone

There total 41 articles about 2-Pentadecanone 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: 95.0%

2-acetyltetradecanoic acid ethyl ester (5397-53-5) → pentadecan-2-one (2345-28-0)

Guidance literature:

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

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

Reference yield: 95.0%

tetramethylsilane (75-76-3) + tetradecanoyl chloride (112-64-1) → pentadecan-2-one (2345-28-0)

Guidance literature:

With aluminium trichloride; In dichloromethane; for 4h; Ambient temperature;

DOI:10.1248/cpb.32.1568

Reference yield: 83.0%

β-hydroxypalmitic acid (928-17-6,2398-34-7,20595-04-4,83780-74-9) → pentadecan-2-one (2345-28-0)

Guidance literature:

With bis(1,5-cyclooctadiene)diiridium(I) dichloride; triphenylphosphine; potassium iodide; at 250 ℃; for 3h; Inert atmosphere;

DOI:10.1021/om1009268

upstream raw materials:

methyl magnesium iodide

myristonitrile

2-pentadecanol

methyl myristoate

Downstream raw materials:

pentadecane

2-pentadecanol

tridecanoic acid

acetic acid