6-Hexadecanone

Base Information

• Chemical Name: 6-Hexadecanone
• CAS No.: 57661-23-1
• Molecular Formula: C16H32O
• Molecular Weight: 240.429
• Hs Code.: 2914190090
• European Community (EC) Number: 260-885-6
• NSC Number: 158532
• DSSTox Substance ID: DTXSID60206364
• Nikkaji Number: J296.758H
• Wikidata: Q83080196
• ChEMBL ID: CHEMBL3273572
• Mol file: 57661-23-1.mol

Synonyms:6-Hexadecanone;Hexadecan-6-one;57661-23-1;EINECS 260-885-6;NSC158532;SCHEMBL1784579;CHEMBL3273572;DTXSID60206364;MFCD00051549;NSC 158532;NSC-158532

Chemical Property of 6-Hexadecanone

Chemical Property:

• Vapor Pressure: 0.000708mmHg at 25°C
• Melting Point: 35-36oC
• Refractive Index: 1.4440 (estimate)
• Boiling Point: 307.8°C at 760 mmHg
• Flash Point: 83.6°C
• PSA: 17.07000
• Density: 0.829g/cm³
• 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:

99% ^*data from raw suppliers

6-HEXADECANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCC(=O)CCCCC

Technology Process of 6-Hexadecanone

There total 13 articles about 6-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: 84.0%

11-Hexadecanol (591-73-1) → hexadecan-6-one (57661-23-1)

Guidance literature:

With 1-Hexadecene; In water; at 30 ℃; for 24h; Corinebacterium equi;

Reference yield: 74.0%

1-Decene (872-05-9,17438-89-0,25189-70-2) + hexanal (66-25-1) → hexadecan-6-one (57661-23-1) + C26H52O

Guidance literature:

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

DOI:10.1002/chem.202004946

Reference yield:

Hexadecane (544-76-3) → 1-hexyl decanol (591-72-0) + hexadecan-7-one (45206-91-5) + hexadecan-6-one (57661-23-1) + hexadecan-5-one (41903-81-5) + hexadecan-3-one (18787-64-9) + hexadecan-2-one (18787-63-8) + hexadecan-4-one (18787-65-0)

Guidance literature:

With Na₁₀[{Sb^V(OH)₃}₂{V^IVO(H₂O)}₂{Sb^IIIW₉O₃₃}₂]*32H₂O; at 150 ℃; for 6h; Catalytic behavior; Green chemistry;

DOI:10.1016/j.ica.2013.06.001

upstream raw materials:

hexanenitrile

n-decyl magnesium bromide

Ethyl hexanoate

amyl iodide

Refernces

• 1、 Meng, Rui-Qi,Wang, Bin,Sui, Hui-Min,Li, Bao,Song, Wei,Wu, Li-Xin,Zhao, Bing,Bi, Li-Hua. "Organoruthenium-supported polyoxotungstate - Synthesis, structure and oxidation of n-hexadecane with air". . p. 1935 - 1942. Retrieved 2013/05/23.
• 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.