Hexadecan-2-one

Base Information

• Chemical Name: Hexadecan-2-one
• CAS No.: 18787-63-8
• Molecular Formula: C16H32O
• Molecular Weight: 240.429
• Hs Code.: 2914190090
• European Community (EC) Number: 242-571-0
• UNII: LW5WI8V19D
• DSSTox Substance ID: DTXSID10172101
• Nikkaji Number: J73.681C
• Wikidata: Q27283217
• Metabolomics Workbench ID: 5557
• ChEMBL ID: CHEMBL3273568
• Mol file: 18787-63-8.mol

Synonyms:2-HEXADECANONE;Hexadecan-2-one;18787-63-8;EINECS 242-571-0;UNII-LW5WI8V19D;BRN 1769889;LW5WI8V19D;AI3-33815;4-01-00-03393 (Beilstein Handbook Reference);Methyl tetradecyl ketone;2-Hexadecanone, 98%;SCHEMBL308802;CHEMBL3273568;DTXSID10172101;CHEBI:179359;LMFA12000187;MFCD00042873;AKOS009158706;AS-56549;LS-74861;CS-0336685;FT-0669157;E78031;4-01-00-03393(Beilstein handbook reference);J-012093;Q27283217

Chemical Property of Hexadecan-2-one

Chemical Property:

• Appearance/Colour: colorless crystals
• Vapor Pressure: 0.000362mmHg at 25°C
• Melting Point: 43-45 °C(lit.)
• Refractive Index: 1.438
• Boiling Point: 318.4 °C at 760 mmHg
• Flash Point: 82.7 °C
• PSA: 17.07000
• Density: 0.829 g/cm³
• LogP: 5.66660
• XLogP3: 6.8
• 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

2-Hexadecanone ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCC(=O)C
• Uses: 2-Hexadecanone is a saturated long chain alkyl ketone. Studies show that 2-Hexadecanone is an excellent anticholesteremic that reduces serum cholesterol levels significantly without altering triglycer ide levels. 2-Hexadecanone is a volatile constituent found in cooked meats as well as in essential oils from various flowers and plants. 2-Hexadecanone (Methyl tetradecyl ketone) may be used to compose the graphite suspension required for the fabrication of thick-cover spray-printed electrodes by spray-printing process. It may be used for the preparation of solid binding matrix (SBM)-based composite electrodes for the construction of simple amperometric biosensor for sensitive detection of various pH-sensitive redox-active compounds.

Technology Process of Hexadecan-2-one

There total 27 articles about Hexadecan-2-one 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: 100.0%

(1Z,3Z,9Z)-1-Chlorohexadeca-5,7-diyne-1,3,9-trien-15-one (76480-29-0) → hexadecan-2-one (18787-63-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In diethyl ether; for 4h;

DOI:10.1021/jo00320a046

Reference yield: 100.0%

(1Z,3E,9Z)-1-Chlorohexadeca-5,7-diyne-1,3,9-trien-15-one (76480-28-9) → hexadecan-2-one (18787-63-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In diethyl ether; for 4h;

DOI:10.1021/jo00320a046

Reference yield: 82.0%

1-Hexadecene (629-73-2) → hexadecan-2-one (18787-63-8)

Guidance literature:

With oxygen; sodium acetate; palladium dichloride; In N,N-dimethyl acetamide; at 80 ℃; for 3h; under 4560 Torr;

DOI:10.1002/anie.200502886

upstream raw materials:

ethanol

1-bromotridecane

sodium ethyl acetylacetate enolate

4-methyl-octadecanoic acid methyl ester

Downstream raw materials:

2-heptadecanol

hexadecan-2-ol

acetic acid

n-tetradecanoic acid

Refernces

• 1、 Cason,J. et al.. "-". . p. 437 - 450. Retrieved 1962.
• 2、 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.
• 3、 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.