Behenolic acid

Base Information

• Chemical Name: Behenolic acid
• CAS No.: 506-35-4
• Molecular Formula: C22H40O2
• Molecular Weight: 336.558
• Hs Code.: 2916190090
• NSC Number: 30170
• UNII: 1418926YF8
• DSSTox Substance ID: DTXSID50283164
• Nikkaji Number: J95.726G
• Wikidata: Q82017636
• Metabolomics Workbench ID: 1040
• Mol file: 506-35-4.mol

Synonyms:Behenolic acid;docos-13-ynoic acid;13-Docosynoic acid;506-35-4;NSC-30170;1418926YF8;Behenolsaure;SCHEMBL1040080;DTXSID50283164;UNII-1418926YF8;NSC30170;LMFA01030686

Chemical Property of Behenolic acid

Chemical Property:

• Vapor Pressure: 7.55E-10mmHg at 25°C
• Melting Point: 65.5°C (estimate)
• Refractive Index: 1.4403 (estimate)
• Boiling Point: 462.8°C at 760 mmHg
• Flash Point: 223°C
• PSA: 37.30000
• Density: 0.91g/cm³
• LogP: 7.11610
• XLogP3: 8.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 17
• Exact Mass: 336.302830514
• Heavy Atom Count: 24
• Complexity: 334

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC#CCCCCCCCCCCCC(=O)O

Technology Process of Behenolic acid

There total 1 articles about Behenolic 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:

docos-13-ynoic acid-(N'-phenyl-hydrazide) → behenolic acid (506-35-4) + docos-13-ynoic acid-(N',N'-diphenyl-hydrazide)

Guidance literature:

Reference yield: 80.0%

behenolic acid (506-35-4) → C66H120O6 (1100861-20-8) + C66H120O6 (1100861-25-3)

Guidance literature:

With chloro-trimethyl-silane; palladium on activated charcoal; In tetrahydrofuran; for 8h; Heating;

DOI:10.1016/j.chemphyslip.2007.11.002

Reference yield:

behenolic acid (506-35-4) → stearic acid (57-11-4)

Guidance literature:

at 260 ℃;

Downstream raw materials:

docos-13-ynoic acid methyl ester

11-eicosenoic acid

cis-13-docosenoic acid

Brassidic acid