(E)-docos-11-enoic acid

Base Information

• Chemical Name: (E)-docos-11-enoic acid
• CAS No.: 506-36-5
• Molecular Formula: C22H42O2
• Molecular Weight: 338.57
• DSSTox Substance ID: DTXSID601313002
• Nikkaji Number: J107.520I,J107.521G
• Wikidata: Q15992456
• Metabolomics Workbench ID: 816
• Mol file: 506-36-5.mol

Synonyms:11-docosenoic acid;cetoleic acid;cetoleic acid, (E)-isomer;cetoleic acid, (Z)-isomer

Chemical Property of (E)-docos-11-enoic acid

Chemical Property:

• Melting Point: 61.5°C (estimate)
• Refractive Index: 1.4740 (estimate)
• Boiling Point: 453.3°Cat760mmHg
• Flash Point: 349.9°C
• PSA: 37.30000
• Density: 0.891g/cm³
• LogP: 7.66890
• 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:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCC=CCCCCCCCCCC(=O)O
• Isomeric SMILES: CCCCCCCCCC/C=C/CCCCCCCCCC(=O)O