4-Pentadecanone

Base Information

• Chemical Name: 4-Pentadecanone
• CAS No.: 925-51-9
• Molecular Formula: C15H30 O
• Molecular Weight: 226.403
• Hs Code.: 2914190090
• NSC Number: 158506
• DSSTox Substance ID: DTXSID70303479
• Wikidata: Q82048803
• Mol file: 925-51-9.mol

Synonyms:4-Pentadecanone;pentadecan-4-one;925-51-9;NSC158506;SCHEMBL3411451;DTXSID70303479;QCJWNUNXTZOXCF-UHFFFAOYSA-N;AKOS012525546;NSC-158506

Chemical Property of 4-Pentadecanone

Chemical Property:

• Vapor Pressure: 0.00182mmHg at 25°C
• Melting Point: 35.25°C (estimate)
• Refractive Index: 1.4419 (estimate)
• Boiling Point: 292.6°Cat760mmHg
• Flash Point: 83.1°C
• PSA: 17.07000
• Density: 0.828g/cm³
• LogP: 5.27650
• XLogP3: 6
• 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:

98%min ^*data from raw suppliers

4-PENTADECANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCC(=O)CCC

Technology Process of 4-Pentadecanone

There total 2 articles about 4-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:

(+/-)-1-Tetradecen-3-ol (17642-48-7) + methyl iodide (74-88-4) → tetradecan-3-one (629-23-2) + pentadecan-4-one (925-51-9) + 2-Methyl-tetradecan-3-one (112466-90-7) + 4-Methyl-tetradecan-3-one (112466-94-1)

Guidance literature:

With n-butyllithium; Yield given. Multistep reaction. Further byproducts given. Yields of byproduct given; 1.) -8/+20 deg C, 0.5 h; 2.) -20/+20 deg C, 3 h;

DOI:10.1016/S0040-4039(00)96154-9

Reference yield:

(+/-)-1-Tetradecen-3-ol (17642-48-7) + methyl iodide (74-88-4) → tetradecan-3-one (629-23-2) + pentadecan-4-one (925-51-9) + 2-Methyl-tetradecan-3-one (112466-90-7) + 4-Methyl-tetradecan-3-one (112466-94-1) + 3-Methyl-pentadecan-4-one (112466-97-4) + 2,4-dimethyl-3-tetradodecanone (112466-98-5)

Guidance literature:

With n-butyllithium; In diethyl ether; Product distribution;

DOI:10.1016/S0040-4039(00)96154-9

Reference yield:

pentadecan-4-one (925-51-9) → Pentadecanol-(4) (109212-91-1)

Guidance literature:

With ethanol; nickel; at 150 ℃; under 102971 - 125036 Torr; Hydrogenation;

upstream raw materials:

(+/-)-1-Tetradecen-3-ol

methyl iodide

Downstream raw materials:

Pentadecanol-(4)