2-Methyl-4-undecanone

Base Information

• Chemical Name: 2-Methyl-4-undecanone
• CAS No.: 19594-40-2
• Molecular Formula: C12H24 O
• Molecular Weight: 184.322
• European Community (EC) Number: 243-176-6
• NSC Number: 60572
• UNII: LN53YFA9O0
• DSSTox Substance ID: DTXSID3066508
• Nikkaji Number: J208.627A
• Wikidata: Q81993088
• Mol file: 19594-40-2.mol

Synonyms:2-Methyl-4-undecanone;19594-40-2;2-Methylundecan-4-one;4-Undecanone, 2-methyl-;Heptyl isobutyl ketone;LN53YFA9O0;EINECS 243-176-6;MFCD00027319;NSC 60572;NSC-60572;isobutylheptylketon;methyl-4-undecanone;n-Heptyl isobutyl ketone;UNII-LN53YFA9O0;SCHEMBL608057;ISOBUTYL N-HEPTYL KETONE;DTXSID3066508;NSC60572;AKOS009158801;CS-W004342;AS-57547;SY053651;FT-0637881;I0250;H10895;A925186

Chemical Property of 2-Methyl-4-undecanone

Chemical Property:

• Vapor Pressure: 0.0501mmHg at 25°C
• Melting Point: -11.27°C (estimate)
• Refractive Index: 1.4240 to 1.4280
• Boiling Point: 235.4°Cat760mmHg
• Flash Point: 93.2°C
• PSA: 17.07000
• Density: 0.822g/cm³
• LogP: 3.96210
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 184.182715385
• Heavy Atom Count: 13
• Complexity: 127

Purity/Quality:

98% ^*data from raw suppliers

2-Methyl-4-undecanone >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Methyl-4-undecanone

There total 6 articles about 2-Methyl-4-undecanone 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:

2-isopropyl-3-oxo-decanethioic acid S-methyl ester (73739-52-3) → 2-methyl-4-undecanone (19594-40-2)

Guidance literature:

With hydrogen; nickel; In benzene; Ambient temperature;

DOI:10.1016/S0040-4039(01)86522-9

Reference yield:

3-Oxo-decanethioic acid S-methyl ester (73067-16-0) → 2-methyl-4-undecanone (19594-40-2)

Guidance literature:

Multi-step reaction with 2 steps

1: NaH / 1,2-dimethoxy-ethane / Heating

2: H₂ / Raney-Ni / benzene / Ambient temperature

With hydrogen; sodium hydride; nickel; In 1,2-dimethoxyethane; benzene;

DOI:10.1016/S0040-4039(01)86522-9

Reference yield:

hexanal (66-25-1) → 2-methyl-4-undecanone (19594-40-2)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium 1,1-bis-trimethylsilanyl-3-methyl-butoxide / tetrahydrofuran / -40 °C

2: (i) TsOH, benzene, (ii) H₂, Pd-C, MeOH

With lithium 1,1-bis-trimethylsilanyl-3-methyl-butoxide; In tetrahydrofuran;

DOI:10.1016/S0040-4039(00)93792-4

upstream raw materials:

6-hydroxy-2-methyl-undecan-4-one

2-isopropyl-3-oxo-decanethioic acid S-methyl ester

diisobutylcadmium

n-octanoic acid chloride