2-Methylicosanoic acid

Base Information

• Chemical Name: 2-Methylicosanoic acid
• CAS No.: 22890-19-3
• Molecular Formula: C₂₁H₄₂O₂
• Molecular Weight: 326.563
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID60945569
• Wikidata: Q82922953
• Mol file: 22890-19-3.mol

Synonyms:2-methyleicosanoic acid

Chemical Property of 2-Methylicosanoic acid

Chemical Property:

• Vapor Pressure: 4.28E-09mmHg at 25°C
• Boiling Point: 443.2°C at 760 mmHg
• Flash Point: 251.2°C
• PSA: 37.30000
• Density: 0.882g/cm³
• LogP: 7.35870
• XLogP3: 9.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 18
• Exact Mass: 326.318480578
• Heavy Atom Count: 23
• Complexity: 250

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Methylicosanoic acid

There total 7 articles about 2-Methylicosanoic 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 2-methyleicosanoate (93642-66-1) → 2-methyl-eicosanoic acid (22890-19-3)

Guidance literature:

With potassium hydroxide; In methanol; water; toluene; at 75 ℃;

DOI:10.1016/0009-3084(93)90027-Z

Reference yield:

n-Octadecanal (638-66-4) → 2-methyl-eicosanoic acid (22890-19-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 84 percent / CH₂Cl₂ / 1 h / Ambient temperature

2: 93 percent / H₂ / 10percent Pd/C / diethyl ether

3: KOH / methanol; toluene; H₂O / 75 °C

With potassium hydroxide; hydrogen; palladium on activated charcoal; In methanol; diethyl ether; dichloromethane; water; toluene;

DOI:10.1016/0009-3084(93)90027-Z

Reference yield:

ethyl (E)-2-methyleicos-2-enoate (153338-09-1) → 2-methyl-eicosanoic acid (22890-19-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 93 percent / H₂ / 10percent Pd/C / diethyl ether

2: KOH / methanol; toluene; H₂O / 75 °C

With potassium hydroxide; hydrogen; palladium on activated charcoal; In methanol; diethyl ether; water; toluene;

DOI:10.1016/0009-3084(93)90027-Z

upstream raw materials:

methyl-octadecyl-malonic acid

ethyl 2-methyleicosanoate

n-Octadecanal

ethyl (E)-2-methyleicos-2-enoate

Downstream raw materials:

trans-2-Methyl-eicosen-(2)-saeure-methylester

N-<1-hydroxy-2-(R)-phenyl>ethyl-2-(R)-methyl-eicosanamide