9-Methylundecanoic acid

Base Information

• Chemical Name: 9-Methylundecanoic acid
• CAS No.: 17001-17-1
• Molecular Formula: C₁₂H₂₄O₂
• Molecular Weight: 200.321
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID10415227
• Nikkaji Number: J1.243.498G
• Metabolomics Workbench ID: 130
• Mol file: 17001-17-1.mol

Synonyms:9-methylundecanoic acid;17001-17-1;9-methyl-undecanoic acid;LMFA01020059;9-METHYLUNDECANOICACID;SCHEMBL2915129;DTXSID10415227;CHEBI:179758

Chemical Property of 9-Methylundecanoic acid

Chemical Property:

• Refractive Index: 1.4251 (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:

98%Min ^*data from raw suppliers

9-METHYLUNDECANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)CCCCCCCC(=O)O

Technology Process of 9-Methylundecanoic acid

There total 2 articles about 9-Methylundecanoic 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:

(7-methyl-nonyl)-malonic acid diethyl ester → 9-methylundecanoic acid (17001-17-1)

Guidance literature:

With potassium hydroxide; und Erhitzen des nach dem Ansaeuern erhaltenen Reaktionsprodukts unter 12 Torr bis auf 170grad;

Reference yield:

1-(3-Methyl-pentyl)-cyclohexanol → 9-methylundecanoic acid (17001-17-1)

Guidance literature:

With chromium(VI) oxide; acetic acid; und Erhitzen des Reaktionsprodukts mit wasserhaltigem Hydrazin, Aethylenglykol und Kaliumhydroxid;

DOI:10.1039/jr9510001740

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