4,7,10,13,16,19-Docosahexaenoic acid, methyl ester

Base Information

• Chemical Name: 4,7,10,13,16,19-Docosahexaenoic acid, methyl ester
• CAS No.: 301-01-9
• Molecular Formula: C23H34 O2
• Molecular Weight: 342.51
• European Community (EC) Number: 627-022-9
• Nikkaji Number: J401.023J,J623.708H
• Wikidata: Q106038718
• Mol file: 301-01-9.mol

Synonyms:docosahexaenoic acid methyl ester;methyl docosahexaenoate

Chemical Property of 4,7,10,13,16,19-Docosahexaenoic acid, methyl ester

Chemical Property:

• Vapor Pressure: 1.35E-07mmHg at 25°C
• Refractive Index: n20/D 1.498(lit.)
• Boiling Point: 429.9°Cat760mmHg
• Flash Point: 103.9°C
• PSA: 26.30000
• Density: 0.917g/cm³
• LogP: 6.63730
• Storage Temp.: −20°C
• Solubility.: Chloroform (Sparingly), Ethyl Acetate (Slightly)
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 342.255880323
• Heavy Atom Count: 25
• Complexity: 476

Purity/Quality:

98%Min ^*data from raw suppliers

cis-4,7,10,13,16,19-Docosahexaenoic acid methyl ester ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn,N
• Hazard Codes: F,Xn,N
• Statements: 11-38-50/53-65-67
• Safety Statements: 23-24/25-62-61-60

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OC
• Isomeric SMILES: CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)OC
• Uses: A type of biodiesel with industrial applications. Used as a reagent in cholesterol photooxidation.