4-Ethyldecanoic acid

Base Information

• Chemical Name: 4-Ethyldecanoic acid
• CAS No.: 25234-31-5
• Molecular Formula: C12H24O2
• Molecular Weight: 200.31800
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID90699280
• Mol file: 25234-31-5.mol

Synonyms:4-ETHYLDECANOIC ACID;25234-31-5;SCHEMBL9540925;DTXSID90699280

Chemical Property of 4-Ethyldecanoic acid

Chemical Property:

• Refractive Index: 1.4243 (estimate)
• Boiling Point: 293.36°C (estimate)
• PSA: 37.30000
• Density: 0.8910 (rough estimate)
• LogP: 3.84780
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 200.177630004
• Heavy Atom Count: 14
• Complexity: 143

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(CC)CCC(=O)O

Technology Process of 4-Ethyldecanoic acid

There total 6 articles about 4-Ethyldecanoic 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:

methyl 4-ethyldecanoate → 4-ethyldecanoic acid (25234-31-5)

Guidance literature:

With potassium hydroxide; Yield given;

Reference yield:

3-chloro-nonane (28123-68-4) → 4-ethyldecanoic acid (25234-31-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: magnesium; iodine; ethylene dibromide / tetrahydrofuran / 70 °C / Heating

1.2: 3 h / -10 °C

2.1: potassium hydroxide / methanol; water / 3 h / Reflux

With iodine; magnesium; ethylene dibromide; potassium hydroxide; In tetrahydrofuran; methanol; water;

DOI:10.3184/174751912X13402672600994

Reference yield:

nonan-3-ol (185019-15-2) → 4-ethyldecanoic acid (25234-31-5)

Guidance literature:

Multi-step reaction with 3 steps

1.1: thionyl chloride

2.1: magnesium; iodine; ethylene dibromide / tetrahydrofuran / 70 °C / Heating

2.2: 3 h / -10 °C

3.1: potassium hydroxide / methanol; water / 3 h / Reflux

With thionyl chloride; iodine; magnesium; ethylene dibromide; potassium hydroxide; In tetrahydrofuran; methanol; water;

DOI:10.3184/174751912X13402672600994

upstream raw materials:

5-Ethyl-5-hexyl-dihydro-furan-2-one

methyl 4-ethyl-6-iodohexanoate

3-chloro-nonane

nonan-3-ol