2-Methylheptadecanoic acid

Base Information

• Chemical Name: 2-Methylheptadecanoic acid
• CAS No.: 5638-12-0
• Molecular Formula: C18H36O2
• Molecular Weight: 284.483
• European Community (EC) Number: 227-085-9
• UNII: USO2AQ1J3Z
• DSSTox Substance ID: DTXSID40415230,DTXSID50884175
• Nikkaji Number: J225.069A
• Wikidata: Q27291249
• Metabolomics Workbench ID: 163
• Mol file: 5638-12-0.mol

Synonyms:2-methyl-heptadecanoic acid;isostearate;isostearic acid

Chemical Property of 2-Methylheptadecanoic acid

Chemical Property:

• Vapor Pressure: 1.52E-07mmHg at 25°C
• Melting Point: 51-51.5 °C
• Refractive Index: 1.454
• Boiling Point: 400.8 °C at 760 mmHg
• PKA: 4.82±0.21(Predicted)
• Flash Point: 225.6 °C
• PSA: 37.30000
• Density: 0.887 g/cm³
• LogP: 6.18840
• XLogP3: 8.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 284.271530387
• Heavy Atom Count: 20
• Complexity: 214

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Methylheptadecanoic acid

There total 9 articles about 2-Methylheptadecanoic 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 heptadecanoic acid (5638-12-0)

Guidance literature:

With phosphorus; hydrogen iodide; at 190 - 210 ℃; Reduktion der Reaktionsmasse, die stark jodhaltig ist, mit Zinkstaub und Eisessig und Eingiessen des Filtrats in kaltes Wasser;

Reference yield:

→ methyl heptadecanoic acid (5638-12-0)

Guidance literature:

With sodium ethanolate; at 170 - 180 ℃;

Reference yield:

→ methyl heptadecanoic acid (5638-12-0)

Guidance literature:

Erhitzen ueber den Schmelzpunkt;

upstream raw materials:

(+/-)-Lichesterylsaeure

methyl magnesium iodide

heptadec-2-en-4-one

2-Methyl-4-oxo-heptadecansaeurenitril