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

Base Information

• Chemical Name: 4,7,10,13,16,19-Docosahexaenoic acid
• CAS No.: 2091-24-9
• Molecular Formula: C22H32O2
• Molecular Weight: 328.4883
• European Community (EC) Number: 612-950-9
• UNII: ZR7NX0Z98X
• Nikkaji Number: J382.991J,J322.536D
• Wikipedia: Docosahexaenoic_acid
• Wikidata: Q27094656
• Mol file: 2091-24-9.mol

Synonyms:4,7,10,13,16,19-Docosahexaenoic acid;ZR7NX0Z98X;(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoic acid;2091-24-9;391921-09-8;UNII-ZR7NX0Z98X;trans-4,7,10,13,16,19-Docohexaenoic acid;(4E,7E,10E,13E,16E,19E)-4,7,10,13,16,19-Docosahexaenoic acid;4,7,10,13,16,19-Docosahexaenoic acid, (4E,7E,10E,13E,16E,19E)-;6217-54-5;SCHEMBL159951;SCHEMBL13900774;AKOS015902722;AS-49348;LS-63368;4,7,10,13,16,19-Docosahexaenoicacid;all-trans-docosa-4,7,10,13,16,19-hexaenoic acid;Q27094656

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

Chemical Property:

• Appearance/Colour: Colorless liquid.
• Vapor Pressure: 3.16E-09mmHg at 25°C
• Melting Point: 17.5oC
• Refractive Index: 1.52
• Boiling Point: 446.7 °C at 760 mmHg
• PKA: 4.65±0.10(Predicted)
• Flash Point: 343.4 °C
• PSA: 37.30000
• Density: 0.943 g/cm³
• LogP: 6.54890
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 328.240230259
• Heavy Atom Count: 24
• Complexity: 462

Purity/Quality:

99%, ^*data from raw suppliers

(4E,7E,10E,13E,16E,19E)-DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O
• Isomeric SMILES: CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)O
• Recent EU Clinical Trials: Imaging the functional and molecular impact of poly-unsaturated fatty acids on dopamine-dependent cognitive functions: a combined [11C]-(+)-PHNO PET/MRI study at different stages of cognitive impairment
• Uses: Lonza DHA cl is a pure vegetarian source of DHA (Docosahexaenoic acid) produced from microalgae. DHA is an essential long-chain omega-3 fatty acid. Lonza DHA cl is a clear oil especially developed for use in dietary supplements. Microencapsulated DHA-rich oil produced from microalgae. The product is suitable to supplement food products especially dry mixes, dry specialty nutrition products, but also bakery and dairy-based products. WWW Link