Pinolenic acid

Base Information

• Chemical Name: Pinolenic acid
• CAS No.: 16833-54-8
• Molecular Formula: C18H30 O2
• Molecular Weight: 278.43
• UNII: B810C93MD7
• DSSTox Substance ID: DTXSID00895852
• Wikipedia: Pinolenic_acid
• Wikidata: Q2823302
• NCI Thesaurus Code: C68335
• Metabolomics Workbench ID: 761
• Mol file: 16833-54-8.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 Pinolenic acid

Chemical Property:

• Refractive Index: nD20 1.4804
• Boiling Point: 384.8±11.0 °C(Predicted)
• PKA: 4.76±0.10(Predicted)
• PSA: 37.30000
• Density: 0.924±0.06 g/cm3(Predicted)
• 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:

99.5% ^*data from raw suppliers

PinolenicAcid ^*data from reagent suppliers

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