16-Methylheptadecanoic acid

Base Information

• Chemical Name: 16-Methylheptadecanoic acid
• CAS No.: 2724-58-5
• Molecular Formula: C18H36O2
• Molecular Weight: 284.483
• Hs Code.: 2915701000
• European Community (EC) Number: 250-178-0,220-336-3
• UNII: LZM5XA0ILL
• DSSTox Substance ID: DTXSID1040790
• Nikkaji Number: J249.982G
• Wikidata: Q27158161
• Metabolomics Workbench ID: 85
• ChEMBL ID: CHEMBL1865303
• Mol file: 2724-58-5.mol

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

Chemical Property of 16-Methylheptadecanoic acid

Chemical Property:

• Appearance/Colour: solid
• Vapor Pressure: 1.52E-07mmHg at 25°C
• Melting Point: 67.8-68.5 °C
• Refractive Index: 1.454
• Boiling Point: 400.8 °C at 760 mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 225.6 °C
• PSA: 37.30000
• Density: 0.887 g/cm³
• LogP: 6.18840
• Storage Temp.: 2-8°C
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 284.271530387
• Heavy Atom Count: 20
• Complexity: 212

Purity/Quality:

Isostearic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)CCCCCCCCCCCCCCC(=O)O
• Uses: Similar to stearic or oleic acids. Isostearic acid (16-Methylheptadecanoic acid) is used in the synthesis of methyl-branched poly(hydroxyalkanoate)s, biosurfactants and silver nanoparticles.

Technology Process of 16-Methylheptadecanoic acid

There total 14 articles about 16-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: 97.0%

→ 16-methylheptadecanoic acid (2724-58-5)

Guidance literature:

Reference yield: 82.0%

isostearyl Alcohol (41744-75-6) → 16-methylheptadecanoic acid (2724-58-5)

Guidance literature:

With potassium permanganate; tetrabutylammomium bromide; acetic acid; In dichloromethane; water; for 24h; Reflux;

DOI:10.3762/bjoc.9.210

Reference yield:

→ 16-methylheptadecanoic acid (2724-58-5)

Guidance literature:

With hydrogenchloride; amalgamated zinc; acetic acid;

upstream raw materials:

8-methylnonanoic acid

sebacic acid mono methyl ester

adipic acid monomethyl ester

isomyristic acid

Downstream raw materials:

isostearyl Alcohol

16-methylheptadecanoic acid chloride

glycerol monoisostearate

hexadecyl isostearate

Refernces

• 1、 -. "METHOD FOR PRODUCING CROSS-COUPLING COMPOUND". Page/Page column 19; 21. . Retrieved 2010/01/29.