2-Methyldecanoic acid

Base Information

• Chemical Name: 2-Methyldecanoic acid
• CAS No.: 24323-23-7
• Deprecated CAS: 137765-21-0
• Molecular Formula: C11H22O2
• Molecular Weight: 186.294
• Hs Code.: 2915900090
• European Community (EC) Number: 246-163-3
• DSSTox Substance ID: DTXSID90275881,DTXSID40884902
• Nikkaji Number: J287.213G
• Wikidata: Q82006119
• Metabolomics Workbench ID: 160
• Mol file: 24323-23-7.mol

Synonyms:2-Methyldecanoic acid;24323-23-7;2-methyl decanoic acid;Decanoic acid, 2-methyl-;2-methyl-decanoic acid;2-METHYLDECANOICACID;EINECS 246-163-3;(+)-2-metyl decanoic acid;(+)-2-methyl decanoic acid;SCHEMBL276739;DTXSID40884902;DTXSID90275881;CHEBI:179387;LMFA01020090;MFCD00060857;CS-0245694;FT-0691798;EN300-309233;F72414;A1-23368;137765-21-0

Chemical Property of 2-Methyldecanoic acid

Chemical Property:

• Vapor Pressure: 0.000557mmHg at 25°C
• Refractive Index: 1.444
• Boiling Point: 289.3 °C at 760 mmHg
• PKA: 4.83±0.21(Predicted)
• Flash Point: 154.2 °C
• PSA: 37.30000
• Density: 0.908 g/cm³
• LogP: 3.45770
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 186.161979940
• Heavy Atom Count: 13
• Complexity: 132

Purity/Quality:

98%min ^*data from raw suppliers

2-Methyldecanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Methyldecanoic acid

There total 30 articles about 2-Methyldecanoic acid 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%

1-Decene (872-05-9,17438-89-0,25189-70-2) + magnesium sulfate (7487-88-9) + copper(II) chloride (7447-39-4) + palladium dichloride → 2-methyl decanoic acid (24323-23-7)

Guidance literature:

With hydrogenchloride; carbon monoxide; In tetrahydrofuran; sodium hydroxide; water;

Reference yield: 100.0%

1-Decene (872-05-9,17438-89-0,25189-70-2) + carbon monoxide (201230-82-2) → 2-methyl decanoic acid (24323-23-7)

Guidance literature:

With hydrogenchloride; oxygen; copper dichloride; palladium dichloride; In tetrahydrofuran; for 4h; under 760 Torr; Ambient temperature;

DOI:10.1039/c39830001270

Reference yield: 92.0%

ethyl (R,S)-2-methyldecanoate (126784-41-6) → 2-methyl decanoic acid (24323-23-7)

Guidance literature:

With potassium hydroxide; In methanol; toluene; for 24h; Heating;

DOI:10.1016/0009-3084(94)90067-1

upstream raw materials:

methyl-octyl-malonic acid

1-bromo-octane

Diethyl methylmalonate

1-Decene

Downstream raw materials:

2-methyldecanoic acid methyl ester

2-methyldecan-1-ol

1-bromo-2-methyldecane

2,2-dimethyl decanoic acid

Refernces

• 1、 Asato, Yuka,Iwasaki, Arihiro,Natsume, Noriyuki,Suenaga, Kiyotake,Teruya, Toshiaki,Yamano, Aki. "Odookeanynes A and B, Acetylene-Containing Lipopeptides from an Okeania sp. Marine Cyanobacterium". . . Retrieved 2022/01/04.
• 2、 Wu, Qi,Soni, Pankaj,Reetz, Manfred T.. "Laboratory evolution of enantiocomplementary Candida antarctica lipase B mutants with broad substrate scope". supporting information. p. 1872 - 1881. Retrieved 2013/08/24.