Decane-2,4-dione

Base Information

• Chemical Name: Decane-2,4-dione
• CAS No.: 13329-78-7
• Molecular Formula: C10H18 O2
• Molecular Weight: 170.252
• Hs Code.: 2914190090
• European Community (EC) Number: 236-379-6
• UNII: 4QA3UZ5A2H
• DSSTox Substance ID: DTXSID90158049
• Nikkaji Number: J213.849B
• Mol file: 13329-78-7.mol

Synonyms:Decane-2,4-dione;2,4-decanedione;13329-78-7;EINECS 236-379-6;decane-7,9-dione;Acetylmethylhexyl ketone;starbld0041347;1-Hexyl-1,3-butanedione;4QA3UZ5A2H;SCHEMBL184565;DTXSID90158049;AKOS040751498

Chemical Property of Decane-2,4-dione

Chemical Property:

• Vapor Pressure: 0.0317mmHg at 25°C
• Refractive Index: 1.4494 (estimate)
• Boiling Point: 243.6°Cat760mmHg
• Flash Point: 89.3°C
• PSA: 34.14000
• Density: 0.906g/cm³
• LogP: 2.50500
• Water Solubility.: 442.7mg/L(25 oC)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(=O)CC(=O)C

Technology Process of Decane-2,4-dione

There total 17 articles about Decane-2,4-dione 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: 92.0%

3-(Dimethyl-λ4-sulfanylidene)-decane-2,4-dione → decane-2,4-dione (13329-78-7)

Guidance literature:

With acetic acid; zinc; In 1,4-dioxane; for 12h; Ambient temperature;

DOI:10.1055/s-1988-27506

Reference yield: 92.0%

1-(2-Methyl-[1,3]dioxolan-2-yl)-octan-2-one → decane-2,4-dione (13329-78-7)

Guidance literature:

amberlyst-15; In water; acetone; Heating;

DOI:10.1055/s-1993-25981

Reference yield: 90.0%

1-phenylsulfonyl-decane-2,4-dione (797752-53-5) → decane-2,4-dione (13329-78-7)

Guidance literature:

With methanol; sodium amalgam; at -20 ℃; for 2h;

DOI:10.1016/j.tet.2004.07.087

upstream raw materials:

4-hydroxy-decan-2-one

(E)-2-acetoxy-2-heptene

2-methylheptanal

ethyl acetate

Downstream raw materials:

oenanthic acid

2-oxopropanal

sulfanilic acid-(4-hexyl-6-methyl-pyrimidin-2-ylamide)

Pd(C₇H₁₅OC₆H₃CHNC₆H₄C₆H₄OC₇H₁₅)(CH₃COCHCOC₆H₁₃)

Refernces

• 1、 Ragni, Roberta,Orselli, Enrico,Kottas, Gregg S.,Omar, Omar Hassan,Babudri, Francesco,Pedone, Adriana,Naso, Francesco,Farinola, Gianluca M.,De Cola, Luisa. "Iridium(III) complexes with sulfonyl and fluorine substituents: Synthesis, stereochemistry and effect of functionalisation on their photophysical properties". experimental part. p. 136 - 148. Retrieved 2009/06/18.
• 2、 Fargeas, Valérie,Baalouch, Myriam,Metay, Estelle,Baffreau, Jer?me,Ménard, Delphine,Gosselin, Pascal,Bergé, Jean-Pascal,Barthomeuf, Chantal,Lebreton, Jacques. "New access to 1,3-diketones from aldehydes". . p. 10359 - 10364. Retrieved 2007/10/03.