2-Dodecanone

Base Information

• Chemical Name: 2-Dodecanone
• CAS No.: 6175-49-1
• Molecular Formula: C12H24O
• Molecular Weight: 184.322
• Hs Code.: 29141900
• European Community (EC) Number: 228-222-5
• UNII: P5CN8YSV3P
• DSSTox Substance ID: DTXSID4022236
• Nikkaji Number: J97.897C
• Wikidata: Q27161470
• Metabolomics Workbench ID: 5535
• ChEMBL ID: CHEMBL2228472
• Mol file: 6175-49-1.mol

Synonyms:2-Dodecanone;Dodecan-2-one;6175-49-1;Decyl methyl ketone;METHYL DECYL KETONE;Dodecanone-(2);MFCD00015064;EINECS 228-222-5;UNII-P5CN8YSV3P;P5CN8YSV3P;AI3-28136;CHEBI:89284;n-DECYL METHYL KETONE;2-Dodecanone, 95%;SCHEMBL103221;CHEMBL2228472;DTXSID4022236;2-Dodecanone, >=97.0% (GC);LMFA12000163;AKOS009158766;NCGC00166062-01;AS-14475;2-Dodecanone, analytical reference material;LS-184952;CS-0314654;D1862;FT-0612190;D89937;A833406;Q27161470

Chemical Property of 2-Dodecanone

Chemical Property:

• Appearance/Colour: Colorless liquid. Characteristic odor.
• Vapor Pressure: 0.0396mmHg at 25°C
• Melting Point: 17-20 °C
• Refractive Index: n20/D 1.433
• Boiling Point: 247.8 °C at 760 mmHg
• Flash Point: 81.2 °C
• PSA: 17.07000
• Density: 0.823 g/cm³
• LogP: 4.10620
• Storage Temp.: 2-8°C
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 184.182715385
• Heavy Atom Count: 13
• Complexity: 118

Purity/Quality:

99% ^*data from raw suppliers

2-Dodecanone >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 51/53
• Safety Statements: 24/25-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aliphatic Ketones, Other
• Canonical SMILES: CCCCCCCCCCC(=O)C
• Uses: 2-Dodecanone may be used as an analytical standard for the determination of the analyte in Tunisian Ruta graveolens L. oils from Jemmel and hop/hop products by chromatography-based techniques.

Technology Process of 2-Dodecanone

There total 89 articles about 2-Dodecanone 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: 99.0%

1-dodecene (112-41-4,25067-08-7,62132-67-6) → dodecan-2-one (6175-49-1)

Guidance literature:

With air; palladium; In ethanol; water; at 50 ℃; for 13h;

Reference yield: 99.0%

rac-2-dodecanol (10203-28-8) → dodecan-2-one (6175-49-1)

Guidance literature:

With sodium bromate; In acetonitrile; for 24h;

DOI:10.1016/S0040-4039(02)02651-5

Reference yield: 98.0%

2-decyl-2-methyl-1,3-oxathiolane → dodecan-2-one (6175-49-1)

Guidance literature:

With eosin Y disodium salt; In acetonitrile; at 20 ℃; for 3h; Irradiation;

DOI:10.1039/c9ob02517k

upstream raw materials:

3-methyl-trideca-1,2-diene

undecanenitrile

methylmagnesium bromide

2-nitrododecane

Downstream raw materials:

2-dodecylamine

4-methyltetradecane

3-methyltridec-1-yn-3-ol

rac-2-dodecanol

Refernces

• 1、 Nishimura, Takahiro,Onoue, Tomoaki,Ohe, Kouichi,Uemura, Sakae. "Pd(OAc)2-catalyzed oxidation of alcohols to aldehydes and ketones by molecular oxygen". . p. 6011 - 6014. Retrieved 1998.
• 2、 Hirao, Toshikazu,Murakami, Toshihide,Ohno, Mitsuru,Ohshiro, Yoshiki. "Redox System of Palladium-Trimethyl Ester of Coenzyme PQQ". . p. 785 - 786. Retrieved 1989.
• 3、 Kimura, Kento,Kurahashi, Takuya,Matsubara, Seijiro,Murano, Shunpei. "Catalytic Aerobic Oxidation of Alkenes with Ferric Boroperoxo Porphyrin Complex; Reduction of Oxygen by Iron Porphyrin". supporting information. p. 2493 - 2497. Retrieved 2021/12/29.
• 4、 Ma, Senjie,Hill, Christopher K.,Olen, Casey L.,Hartwig, John F.. "Ruthenium-Catalyzed Hydroamination of Unactivated Terminal Alkenes with Stoichiometric Amounts of Alkene and an Ammonia Surrogate by Sequential Oxidation and Reduction". supporting information. p. 359 - 368. Retrieved 2021/01/13.