5-Dodecanone

Base Information

• Chemical Name: 5-Dodecanone
• CAS No.: 19780-10-0
• Molecular Formula: C12H24 O
• Molecular Weight: 184.322
• Hs Code.: 2914190090
• European Community (EC) Number: 243-295-3
• NSC Number: 158524
• UNII: 7F67CSB3DU
• DSSTox Substance ID: DTXSID3074284
• Nikkaji Number: J99.441C
• Wikidata: Q82002687
• Mol file: 19780-10-0.mol

Synonyms:5-DODECANONE;19780-10-0;Dodecan-5-one;Butyl heptyl ketone;n-Butyl n-heptyl ketone;7F67CSB3DU;EINECS 243-295-3;NSC-158524;NSC158524;UNII-7F67CSB3DU;SCHEMBL963631;DTXSID3074284;MFCD00015290;AKOS024319253;NSC 158524;CS-0336598;D1536;FT-0620364;D89876

Chemical Property of 5-Dodecanone

Chemical Property:

• Vapor Pressure: 0.0312mmHg at 25°C
• Melting Point: 9-11°C
• Refractive Index: 1.4210
• Boiling Point: 145-146°C 3mm
• Flash Point: 76.8°C
• PSA: 17.07000
• Density: 0.823g/cm³
• LogP: 4.10620
• XLogP3: 4.5
• 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:

98% ^*data from raw suppliers

5-Dodecanone ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 5-Dodecanone

There total 39 articles about 5-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: 98.0%

BuMnCl (88626-90-8) + methyl ester of selenocaprylic acid (88626-89-5) → dodecan-5-one (19780-10-0)

Guidance literature:

at 0 ℃; for 3h;

DOI:10.1016/S0040-4039(00)88340-9 DOI:10.1007/BF00950160

Reference yield: 96.0%

methyl ester of selenocaprylic acid (88626-89-5) → dodecan-5-one (19780-10-0)

Guidance literature:

at -78 ℃; for 0.25h;

DOI:10.1016/S0040-4039(00)88340-9

Reference yield: 95.0%

heptylmanganese chloride (71478-45-0) + n-valeryl chloride (638-29-9) → dodecan-5-one (19780-10-0)

Guidance literature:

In tetrahydrofuran; at -10 - 20 ℃;

DOI:10.1016/S0040-4039(00)70699-X

upstream raw materials:

1-iodo-butane

1-Iodoheptane

n-butyllithium

n-octanoic acid chloride

Downstream raw materials:

5-dodecanol

Refernces

• 1、 Cahiez et al.. "". . p. 3155. Retrieved 1976.
• 2、 Pandey, Bedraj,Xu, Shi,Ding, Keying. "Selective Ketone Formations via Cobalt-Catalyzed β-Alkylation of Secondary Alcohols with Primary Alcohols". supporting information. p. 7420 - 7423. Retrieved 2019/10/02.
• 3、 Gnanamani, Muthu Kumaran,Shafer, Wilson D.,Keogh, Robert A.,Davis, Burtron H.. "Dehydrocyclization of C6 Hydrocarbon with and Without Oxygen Containing Substituent over Pt/(Na)-Al2O3 Catalyst". . p. 424 - 432. Retrieved 2016/02/23.