4-Tetradecanone

Base Information

• Chemical Name: 4-Tetradecanone
• CAS No.: 26496-20-8
• Molecular Formula: C14H28 O
• Molecular Weight: 212.376
• Hs Code.: 2914190090
• European Community (EC) Number: 247-747-0,270-614-3
• NSC Number: 158501
• DSSTox Substance ID: DTXSID00867630
• Nikkaji Number: J248.957K
• Mol file: 26496-20-8.mol

Synonyms:4-Tetradecanone;Tetradecan-4-one;26496-20-8;EINECS 247-747-0;68458-86-6;4-Tetradekanon;SCHEMBL7621914;DTXSID00867630;EINECS 270-614-3;NSC158501;NSC 158501;NSC-158501;FT-0743935

Chemical Property of 4-Tetradecanone

Chemical Property:

• Vapor Pressure: 0.00468mmHg at 25°C
• Melting Point: 38.18°C (estimate)
• Refractive Index: 1.4388 (estimate)
• Boiling Point: 276.8°Cat760mmHg
• Flash Point: 81.8°C
• PSA: 17.07000
• Density: 0.827g/cm³
• LogP: 4.88640
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 212.214015512
• Heavy Atom Count: 15
• Complexity: 140

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: UVCB,Other Classes -> Aliphatic Ketones,Other
• Canonical SMILES: CCCCCCCCCCC(=O)CCC

Technology Process of 4-Tetradecanone

There total 7 articles about 4-Tetradecanone 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: 77.0%

1-Decene (872-05-9,17438-89-0,25189-70-2) + butyraldehyde (123-72-8) → tetradecan-4-one (26496-20-8)

Guidance literature:

With benzophenone; N-hydroxyphthalimide; at 25 ℃; for 24h; Reagent/catalyst; Inert atmosphere; Sealed tube; Irradiation;

DOI:10.1002/chem.202004946

Reference yield:

Iododecane (2050-77-3) → tetradecan-4-one (26496-20-8)

Guidance literature:

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

Reference yield:

1-iodo-propane (107-08-4) → tetradecan-4-one (26496-20-8)

Guidance literature:

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

upstream raw materials:

Iododecane

1-iodo-propane

1-Iodo-1-butyne

1-Decene

Downstream raw materials:

tetradecan-4-ol

Refernces

• 1、 Guin, Joyram,Paul, Subhasis. "A General Approach to Intermolecular Olefin Hydroacylation through Light-Induced HAT Initiation: An Efficient Synthesis of Long-Chain Aliphatic Ketones and Functionalized Fatty Acids". supporting information. p. 4412 - 4419. Retrieved 2021/02/05.
• 2、 Bales, Barney L.,Mareno, Donna,Harris, Francis L.. "Hyperfine Structures of Doxyl-Labeled n-Alkyl Chains by NMR and EPR". . p. 37 - 53. Retrieved 2007/10/02.