3-Hexadecanone

Base Information

• Chemical Name: 3-Hexadecanone
• CAS No.: 18787-64-9
• Molecular Formula: C16H32O
• Molecular Weight: 240.429
• Hs Code.: 2914190090
• European Community (EC) Number: 242-572-6
• NSC Number: 158511
• UNII: U58JRT3EVM
• DSSTox Substance ID: DTXSID4066412
• Nikkaji Number: J99.822B
• Wikidata: Q63409529
• Metabolomics Workbench ID: 5558
• ChEMBL ID: CHEMBL3273569
• Mol file: 18787-64-9.mol

Synonyms:3-Hexadecanone;hexadecan-3-one;18787-64-9;Ethyl n-tridecyl ketone;EINECS 242-572-6;NSC 158511;NSC-158511;Ethyl tridecyl ketone;Cetan-3-one;NSC158511;U58JRT3EVM;3-Hexadecanone, >=99%;SCHEMBL966153;CHEMBL3273569;DTXSID4066412;CHEBI:179365;LMFA12000188;MFCD00048458;AKOS009158491;AS-56559;CS-0316386;FT-0615779;H0565;D90903;J-012094;Q63409529

Chemical Property of 3-Hexadecanone

Chemical Property:

• Vapor Pressure: 0.000971mmHg at 25°C
• Melting Point: 42-44oC
• Refractive Index: 1.4440 (estimate)
• Boiling Point: 140°C/2mm
• Flash Point: 140°C/2mm
• PSA: 17.07000
• Density: 0.829g/cm³
• LogP: 5.66660
• XLogP3: 6.7
• 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%,99%, ^*data from raw suppliers

3-Hexadecanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aliphatic Ketones, Other
• Canonical SMILES: CCCCCCCCCCCCCC(=O)CC

Technology Process of 3-Hexadecanone

There total 9 articles about 3-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: 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:

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

Reference yield:

Hexadecane (544-76-3) → 3-hexadecyl alcohol (593-03-3) + 1-hexyl decanol (591-72-0) + 5-hexadecanol (21078-87-5) + hexadecane-4-ol (19781-43-2) + hexadecan-2-ol (14852-31-4) + hexadecan-7-one (45206-91-5) + hexadecan-6-one (57661-23-1) + hexadecan-3-one (18787-64-9) + hexadecan-2-one (18787-63-8) + hexadecan-4-one (18787-65-0)

Guidance literature:

With 2percent Au/2percent TESPTS in mesoporous silica; at 150 ℃; for 6h; Reagent/catalyst; Reactivity; Air;

upstream raw materials:

ethyl iodide

propionic acid

n-tetradecanoic acid

1-bromotridecane

Downstream raw materials:

2-ethyl-2-hydroxypentadecyl phenyl selenide

3-hexadecyl alcohol

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.