4-Hexadecanone

Base Information

• Chemical Name: 4-Hexadecanone
• CAS No.: 18787-65-0
• Molecular Formula: C16H32O
• Molecular Weight: 240.429
• DSSTox Substance ID: DTXSID601317347
• Nikkaji Number: J2.658.625I
• ChEMBL ID: CHEMBL3273570
• Mol file: 18787-65-0.mol

Synonyms:4-Hexadecanone;hexadecan-4-one;18787-65-0;SCHEMBL3121664;CHEMBL3273570;DTXSID601317347;AKOS012716761

Chemical Property of 4-Hexadecanone

Chemical Property:

• PSA: 17.07000
• LogP: 5.66660
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 13
• Exact Mass: 240.245315640
• Heavy Atom Count: 17
• Complexity: 163

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCC(=O)CCC

Technology Process of 4-Hexadecanone

There total 6 articles about 4-Hexadecanone 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: 58.0%

Hexadecane (544-76-3) → hexadecan-2-one (18787-63-8) + hexadecan-4-one (18787-65-0)

Guidance literature:

With 2-hydroperoxypropane; water; In acetone; at 70 ℃; for 36h;

DOI:10.1016/j.apcata.2012.05.029

Reference yield: 40.0%

Hexadecane (544-76-3) → hexadecan-3-one (18787-64-9) + hexadecan-2-one (18787-63-8) + hexadecan-4-one (18787-65-0)

Guidance literature:

With 2-hydroperoxypropane; water; at 70 ℃; for 24h; neat (no solvent);

DOI:10.1016/j.apcata.2012.05.029

Reference yield: 20.0%

1-prop-1-ynyl-cyclotridecanol (434312-80-8) → hexadecan-4-one (18787-65-0) + cyclotridecanone (832-10-0) + 3-methylcyclopentadecanone (956-82-1,22460-48-6)

Guidance literature:

1-prop-1-ynyl-cyclotridecanol; at 650 ℃; under 0.75006 - 3.00024 Torr;

With hydrogen; palladium on activated charcoal;

DOI:10.1055/s-2002-19759

upstream raw materials:

1-prop-1-ynyl-cyclotridecanol

Hexadecane

Refernces

• 1、 Wang, Bin,Xu, Ling-Xiao,Meng, Rui-Qi,Suo, Lin,Li, Bao,Wu, Li-Xin,Bi, Li-Hua. "A new vanadium(IV)-bridged polyoxotungstate containing mixed valence-antimony(III,V)". . p. 274 - 278. Retrieved 2013/10/22.
• 2、 Chen, Lifang,Hu, Juncheng,Richards, Ryan. "Intercalation of aggregation-free and well-dispersed gold nanoparticles into the walls of mesoporous silica as a robust "Green" catalyst for n-Alkane oxidation". supporting information; experimental part. p. 914 - 915. Retrieved 2009/06/19.