2-Ethyldodecanoic acid

Base Information

• Chemical Name: 2-Ethyldodecanoic acid
• CAS No.: 2874-75-1
• Deprecated CAS: 53593-84-3
• Molecular Formula: C14H28 O2
• Molecular Weight: 228.375
• European Community (EC) Number: 220-715-3
• DSSTox Substance ID: DTXSID50883901
• Nikkaji Number: J306.794G
• Wikidata: Q82862690
• Metabolomics Workbench ID: 227
• Mol file: 2874-75-1.mol

Synonyms:2-Ethyldodecanoic acid;2-ethyl-dodecanoic acid;2874-75-1;2-Ethyllauric acid;Dodecanoic acid, 2-ethyl-;EINECS 220-715-3;a-ethyl lauric acid;SCHEMBL1814997;DTXSID50883901;CHEBI:179789;LMFA01020158;AKOS012708671;FT-0696962

Chemical Property of 2-Ethyldodecanoic acid

Chemical Property:

• Vapor Pressure: 1.68E-05mmHg at 25°C
• Refractive Index: 1.45
• Boiling Point: 339.6°Cat760mmHg
• Flash Point: 187.2°C
• Density: 0.896g/cm³
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 228.208930132
• Heavy Atom Count: 16
• Complexity: 166

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Ethyldodecanoic acid

There total 5 articles about 2-Ethyldodecanoic 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:

ethyl-decyl-malonic acid diethyl ester (83310-35-4) → 2-ethyldodecanoic acid (2874-75-1)

Guidance literature:

Multistep reaction; (i) KOH, EtOH, (ii) (decarboxylation);

Reference yield:

1-bromo dodecane (112-29-8) → 2-ethyldodecanoic acid (2874-75-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) EtONa / 1.) ethanol, reflux, 15 min, 2.) ethanol, reflux, overnight

2: 85percent KOH / aq. ethanol / Heating

3: 0.5 h / 185 - 190 °C

With potassium hydroxide; sodium ethanolate; In ethanol;

DOI:10.1021/jm00087a016

Reference yield:

ethyl-decyl-malonic acid (4471-12-9) → 2-ethyldodecanoic acid (2874-75-1)

Guidance literature:

beim Erhitzen ueber 180grad unter 14 mm Druck;

upstream raw materials:

ethyl-decyl-malonic acid

ethyl-decyl-malonic acid diethyl ester

1-bromo dodecane

diethyl decylmalonate

Downstream raw materials:

3-Benzyltridecan

3-Tridecylphenyl-carbinol

2-ethyl-1-phenyl-dodecan-1-one

tridecan-3-ol

Refernces