17-Methyloctadecanoic acid

Base Information

• Chemical Name: 17-Methyloctadecanoic acid
• CAS No.: 2724-59-6
• Molecular Formula: C₁₉H₃₈O₂
• Molecular Weight: 298.51
• Hs Code.: 2915900090
• European Community (EC) Number: 636-649-7
• UNII: RU8PPF0P2D
• DSSTox Substance ID: DTXSID90181695
• Nikkaji Number: J426.798B
• Wikidata: Q83052320
• Metabolomics Workbench ID: 166
• Mol file: 2724-59-6.mol

Synonyms:17-Methyloctadecanoic acid;2724-59-6;17-Methylstearic acid;Isononadecanoic acid;Octadecanoic acid, 17-methyl-;17-methyl-octadecanoic acid;RU8PPF0P2D;Octadecanoic acid,17-methyl-;UNII-RU8PPF0P2D;SCHEMBL250234;17-METHYLOCTADECANOICACID;DTXSID90181695;CHEBI:133136;YETXGSGCWODRAA-UHFFFAOYSA-N;HY-N7842;LMFA01020096;PD096494;CS-0138428;FT-0607263;17-Methylstearic acid, >=98% (capillary GC);J-016710

Chemical Property of 17-Methyloctadecanoic acid

Chemical Property:

• Vapor Pressure: 4.64E-08mmHg at 25°C
• Melting Point: 67.5°C
• Refractive Index: 1.455
• Boiling Point: 415.3 °C at 760 mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 234.5 °C
• PSA: 37.30000
• Density: 0.885 g/cm³
• LogP: 6.57850
• Storage Temp.: 2-8°C
• XLogP3: 7.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 298.287180451
• Heavy Atom Count: 21
• Complexity: 224

Purity/Quality:

98%Min ^*data from raw suppliers

17-methyl Stearic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)CCCCCCCCCCCCCCCC(=O)O
• Description: 17-methyl Stearic acid is a methyl branched-chain fatty acid that has been found in murine meibomian glands, C. cornucopioides mushrooms, and Phyllobacterium species. It has also been found in the aerial parts of C. ladanifer and its concentration exhibits seasonal variation.

Technology Process of 17-Methyloctadecanoic acid

There total 22 articles about 17-Methyloctadecanoic 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: 86.0%

17-methyloctadecanenitrile → 17-methyloctadecanoic acid (2724-59-6)

Guidance literature:

With water; sodium hydroxide; In ethanol; for 48h; Inert atmosphere; Reflux;

DOI:10.3762/bjoc.9.210

Reference yield:

(E)-17-Methyl-octadec-9-enoic acid (179108-63-5) → 17-methyloctadecanoic acid (2724-59-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; at 20 ℃; for 6h;

Reference yield:

Methyl 16-tosyloxy-(E)-9-hexadecenoate (84042-37-5) → 17-methyloctadecanoic acid (2724-59-6)

Guidance literature:

Multi-step reaction with 3 steps

1: dilithium tetrachlorocuprate / tetrahydrofuran / -10 - 0 °C

2: 480 mg / NaOH / H₂O / 3 h / Heating

3: 250 mg / hydrogen / Pd-C / ethyl acetate / 6 h / 20 °C

With sodium hydroxide; dilithium tetrachlorocuprate; hydrogen; palladium on activated charcoal; In tetrahydrofuran; water; ethyl acetate; 1: coupling / 2: Hydrolysis / 3: Hydrogenation;

upstream raw materials:

1-O-17-Methylstearylmyoinosit

17-methyloctadecanoic acid methyl ester

(E)-17-Methyl-octadec-9-enoic acid

hydrogenchloride

Downstream raw materials:

17-methyloctadecanoic acid methyl ester

Refernces

• 1、 -. "METHOD FOR PRODUCING CROSS-COUPLING COMPOUND". Page/Page column 20-21. . Retrieved 2010/01/29.
• 2、 Subramanian, G. B. V.,Mehrotra, Kalpana. "A Convenient Synthesis of 2-Methylheptadecane, the Tiger Moth Pheromone from Aleuritic Acid". . p. 665. Retrieved 2007/10/02.