2-Methyldodecanoic acid

Base Information

• Chemical Name: 2-Methyldodecanoic acid
• CAS No.: 2874-74-0
• Deprecated CAS: 7613-20-9
• Molecular Formula: C13H26 O2
• Molecular Weight: 214.348
• Hs Code.: 2915900090
• European Community (EC) Number: 220-714-8
• DSSTox Substance ID: DTXSID10870998
• Nikkaji Number: J306.793I
• Wikidata: Q82855130
• Metabolomics Workbench ID: 131
• Mol file: 2874-74-0.mol

Synonyms:2-Methyldodecanoic acid;2874-74-0;Dodecanoic acid, 2-methyl-;2-methyl lauric acid;2-methyl-dodecanoic acid;EINECS 220-714-8;2-METHYLDODECANOICACID;SCHEMBL798041;DTXSID10870998;CHEBI:180111;LMFA01020061;MFCD00050388;AKOS012403842;F72411;A1-37779

Chemical Property of 2-Methyldodecanoic acid

Chemical Property:

• Vapor Pressure: 5.4E-05mmHg at 25°C
• Refractive Index: 1.448
• Boiling Point: 323.3°Cat760mmHg
• Flash Point: 176.7°C
• PSA: 37.30000
• Density: 0.9g/cm³
• LogP: 4.23790
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 214.193280068
• Heavy Atom Count: 15
• Complexity: 155

Purity/Quality:

98%Min ^*data from raw suppliers

2-METHYLDODECANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Methyldodecanoic acid

There total 17 articles about 2-Methyldodecanoic 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: 90.0%

lauric acid (143-07-7) + methyl iodide (74-88-4) → 2-methyl lauric acid (2874-74-0)

Guidance literature:

lauric acid; With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at 0 - 20 ℃; for 1.5h;

methyl iodide; In tetrahydrofuran; hexane; at 0 - 20 ℃;

DOI:10.1021/ja961728b

Reference yield: 90.0%

1-Decene (872-05-9,17438-89-0,25189-70-2) + propionic acid anhydride (123-62-6) → 2-methyl lauric acid (2874-74-0)

Guidance literature:

With oxygen; cobalt(II) acetate; manganese(II) acetate; at 130 ℃; for 5h;

DOI:10.1021/jo034584+

Reference yield: 37.0%

1-Decene (872-05-9,17438-89-0,25189-70-2) + acetic acid (64-19-7,77671-22-8) + propionic acid anhydride (123-62-6) → lauric acid (143-07-7) + 2-methyl lauric acid (2874-74-0)

Guidance literature:

With oxygen; cobalt(II) acetate; manganese(II) acetate; at 130 ℃; for 5h;

DOI:10.1021/jo034584+

upstream raw materials:

(+/-)-7-oxo-2-methyl-dodecanoic acid-⁽¹⁾

decyl-methyl-malonic acid

1-dodecene

carbon monoxide

Downstream raw materials:

2-methylenedodecanoic acid

2-Methyl-dodecanoic acid (2,4,6-trimethoxy-phenyl)-amide

(E)-2-Methyl-2-dodecenoic Acid

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