2-Methyldecan-3-one

Base Information

• Chemical Name: 2-Methyldecan-3-one
• CAS No.: 5463-82-1
• Molecular Formula: C11H22 O
• Molecular Weight: 170.295
• Hs Code.: 2914190090
• European Community (EC) Number: 226-755-8
• NSC Number: 21998,21036
• UNII: JBH3DWA3KK
• DSSTox Substance ID: DTXSID10203065
• Nikkaji Number: J210.529B
• Wikidata: Q83076426
• Mol file: 5463-82-1.mol

Synonyms:2-Methyldecan-3-one;2-Methyl-3-decanone;5463-82-1;3-Decanone, 2-methyl-;EINECS 226-755-8;NSC-21036;NSC-21998;dimethylnonanone;NSC21998;Heptyl isopropyl ketone;2-methyl-decan-3-one;JBH3DWA3KK;SCHEMBL827134;DTXSID10203065;NSC21036;NSC 21036;NSC 21998;AKOS009390431;ENC2267558;FT-0612939

Chemical Property of 2-Methyldecan-3-one

Chemical Property:

• Vapor Pressure: 0.0914mmHg at 25°C
• Melting Point: 8.52°C (estimate)
• Refractive Index: 1.4271 (estimate)
• Boiling Point: 224.4°C at 760 mmHg
• Flash Point: 86.1°C
• PSA: 17.07000
• Density: 0.82g/cm³
• LogP: 3.57200
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 170.167065321
• Heavy Atom Count: 12
• Complexity: 116

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCC(=O)C(C)C

Technology Process of 2-Methyldecan-3-one

There total 25 articles about 2-Methyldecan-3-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: 95.0%

S-phenyl octanethioate (65842-42-4) + isopropylmagnesium bromide (920-39-8) → 2-methyl-3-decanone (5463-82-1)

Guidance literature:

iron(III)-acetylacetonate; In tetrahydrofuran; at 0 ℃;

DOI:10.1016/S0040-4039(00)89199-6

Reference yield: 94.0%

n-heptylmagnesium chloride (42092-01-3) + isobutyryl chloride (79-30-1) → 2-methyl-3-decanone (5463-82-1)

Guidance literature:

manganese chloride bis(lithium chloride); In tetrahydrofuran; at 0 - 10 ℃; for 0.166667h;

DOI:10.1016/S0040-4039(00)60104-1

Reference yield: 93.0%

C3H7ClMn (105486-13-3) + n-octanoic acid chloride (111-64-8) → 2-methyl-3-decanone (5463-82-1)

Guidance literature:

copper(l) chloride; In tetrahydrofuran; at -30 - 20 ℃; for 0.5h;

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

upstream raw materials:

2,3-epoxy-2-heptyl-3-methyl-butyric acid

octanoic acid ethyl ester

isopropyllithium

n-heptylmagnesium bromide

Refernces

• 1、 Cahiez, Gerard. "Organomanganese (II) reagents XXIII: Manganese-catalyzed acylation of organomagnesium compounds by car·ylic acid chlorides". . p. 4439 - 4442. Retrieved 2007/10/02.
• 2、 Cuvigny, Therese,Julia, Marc,Jullien, Ludovic,Rolando, Christian. "A SIMPLE WAY TO SOME KETONE HOMOENOLATES". . p. 2587 - 2590. Retrieved 2007/10/02.