5,9,12-Octadecatrienoic acid

Base Information

• Chemical Name: 5,9,12-Octadecatrienoic acid
• CAS No.: 13237-97-3
• Molecular Formula: C18H30 O2
• Molecular Weight: 278.43
• Hs Code.: 2916190090
• Nikkaji Number: J12.876G,J412.578I,J490.288B
• Wikidata: Q76303104
• NCI Thesaurus Code: C68335
• Metabolomics Workbench ID: 759
• Mol file: 13237-97-3.mol

Synonyms:5,9,12-octadecatrienoic acid;5,9,12-octadecatrienoic acid, (cis)-isomer;5,9,12-octadecatrienoic acid, (Z,Z,E)-isomer;columbinic acid;pinolenic acid;trans-5,9,12-octadecatrienoic acid

Chemical Property of 5,9,12-Octadecatrienoic acid

Chemical Property:

• Vapor Pressure: 5.45E-07mmHg at 25°C
• Boiling Point: 384.8°Cat760mmHg
• Flash Point: 281.7°C
• PSA: 37.30000
• Density: 0.924g/cm³
• LogP: 5.66050
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 278.224580195
• Heavy Atom Count: 20
• Complexity: 301

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC=CCC=CCCC=CCCCC(=O)O
• Isomeric SMILES: CCCCC/C=C/C/C=C/CC/C=C/CCCC(=O)O
• Uses: Pinolenic Acid is found in pine nuts in commercial samples that results in pine nut syndrome.