Brassidic acid

Base Information

• Chemical Name: Brassidic acid
• CAS No.: 506-33-2
• Molecular Formula: C22H42O2
• Molecular Weight: 338.574
• European Community (EC) Number: 208-035-5
• NSC Number: 59686
• UNII: D23G5N92QR
• DSSTox Substance ID: DTXSID601015913
• Nikkaji Number: J94.954J,J107.523C
• Wikidata: Q10395578
• NCI Thesaurus Code: C68326
• Metabolomics Workbench ID: 523
• Mol file: 506-33-2.mol

Synonyms:13-docosenoic acid;erucic acid;erucic acid, (E)-isomer;erucic acid, (Z)-isomer;erucic acid, potassium salt, (Z)-isomer;erucic acid, sodium salt, (Z)-isomer

Chemical Property of Brassidic acid

Chemical Property:

• Appearance/Colour: White powder
• Vapor Pressure: 4.91E-07mmHg at 25°C
• Melting Point: 61-62°
• Refractive Index: 1.467
• Boiling Point: 386.1 °C at 760 mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 349.9 °C
• PSA: 37.30000
• Density: 0.891 g/cm³
• LogP: 7.66890
• Storage Temp.: −20°C
• XLogP3: 8.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 19
• Exact Mass: 338.318480578
• Heavy Atom Count: 24
• Complexity: 284

Purity/Quality:

99% ^*data from raw suppliers

(13E)-13-DocosenoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCCCCCC(=O)O
• Isomeric SMILES: CCCCCCCC/C=C/CCCCCCCCCCCC(=O)O
• Description: 13(E)-Docosenoic acid is a 22-carbon monounsaturated fatty acid. It is the trans isomer of 13(Z)-docosenoic acid .
• Uses: (13E)-13-Docosenoic Acid, is a monounsaturated fatty acid. It is the trans isomer of 13(Z)-docosenoic acid (E649900). Erucic acid is a long-chain alcohol that acts as an inhibitor of fatty acid oxidation in the heart. Erucic acid originates in rapeseed plants, and is the major fatty acid constituent of rapeseed plant oil extracts and canola oil.

Technology Process of Brassidic acid

There total 27 articles about Brassidic 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:

cis-13-docosenoic acid (112-86-7) → Brassidic acid (506-33-2)

Guidance literature:

With nitric acid; sodium nitrite; at 54 - 58 ℃;

Reference yield:

→ cis-13-docosenoic acid (112-86-7) + Brassidic acid (506-33-2)

Guidance literature:

With aluminum isopropoxide; Einw_. von Bromwasserstoff auf das entstandene Saeuregemisch und Behandlung mit Zink;

DOI:10.1038/163095a0

Reference yield:

cis-13-docosenoic acid (112-86-7) → Brassidic acid (506-33-2) + 13-bromo-docosanoic acid (115097-03-5)

Guidance literature:

With hydrogen bromide; acetic acid;

upstream raw materials:

ethyl nitrite

cis-13-docosenoic acid

Elaidic acid

adipic acid monomethyl ester

Downstream raw materials:

docos-13-enoic acid ethyl ester

nonan-1-al

13-docosenamide

docos-13-enoyl chloride