Methyl 2-methyldecanoate

Base Information

• Chemical Name: Methyl 2-methyldecanoate
• CAS No.: 29619-64-5
• Molecular Formula: C12H24 O2
• Molecular Weight: 200.321
• Hs Code.: 2915900090
• European Community (EC) Number: 249-730-3
• DSSTox Substance ID: DTXSID90952089
• Nikkaji Number: J286.911J
• Mol file: 29619-64-5.mol

Synonyms:Methyl 2-methyldecanoate;29619-64-5;EINECS 249-730-3;2-Methyldecanoic acid methyl ester;SCHEMBL560716;DTXSID90952089;2-methyl-decanoic acid methyl ester

Chemical Property of Methyl 2-methyldecanoate

Chemical Property:

• Vapor Pressure: 0.0609mmHg at 25°C
• Boiling Point: 231.9°Cat760mmHg
• Flash Point: 94°C
• PSA: 26.30000
• Density: 0.869g/cm³
• LogP: 3.54610
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 200.177630004
• Heavy Atom Count: 14
• Complexity: 143

Purity/Quality:

99% ^*data from raw suppliers

METHYL 2-METHYLDECANOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC(C)C(=O)OC

Technology Process of Methyl 2-methyldecanoate

There total 14 articles about Methyl 2-methyldecanoate 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: 100.0%

copper (11) chloride + palladium (11) chloride + 1-Decene (872-05-9,17438-89-0,25189-70-2) → 2-methyldecanoic acid methyl ester (29619-64-5)

Guidance literature:

With hydrogenchloride; carbon monoxide; In methanol;

Reference yield: 92.0%

methanol (67-56-1) + 1-Decene (872-05-9,17438-89-0,25189-70-2) + carbon monoxide (201230-82-2) → methyl undecanoate (1731-86-8) + 2-methyldecanoic acid methyl ester (29619-64-5)

Guidance literature:

With 5-chloro-2-hydroxybenzoic acid; boric acid; Tri(p-tolyl)phosphine; palladium diacetate; for 18h; under 20685.9 Torr; Heating;

DOI:10.1021/ol062646n

Reference yield: 92.0%

→ 2-methyldecanoic acid methyl ester (29619-64-5)

Guidance literature:

upstream raw materials:

methanol

2-methyl decanoic acid

toluene-4-sulfonic acid

1-Decene

Downstream raw materials:

1-bromo-2-methyldecane

Toluene-4-sulfonic acid 2-methyl-decyl ester

2-methyldecanal

2-methyldecan-1-ol

Refernces

• 1、 Zulu, Zethu,Nyamato, George S.,Tshabalala, Thandeka A.,Ojwach, Stephen O.. "Palladium(II) complexes of (pyridyl)imine ligands as catalysts for the methoxycarbonylation of olefins". . . Retrieved 2019/12/11.
• 2、 Kumar, Kamlesh,Darkwa, James. "Palladium(II) complexes bearing mixed N^N^X (X?=?O and S) tridentate ligands as pre-catalysts for the methoxycarbonylation of selected 1-alkenes". . p. 249 - 257. Retrieved 2017/10/27.