Paullinic acid

Base Information

• Chemical Name: Paullinic acid
• CAS No.: 17735-94-3
• Molecular Formula: C20H38 O2
• Molecular Weight: 310.51
• Hs Code.: 2916190090
• UNII: CCL3CM45AT
• DSSTox Substance ID: DTXSID80402624
• Nikkaji Number: J590.074C
• Wikipedia: Paullinic_acid
• Wikidata: Q2707986
• Metabolomics Workbench ID: 784
• Mol file: 17735-94-3.mol

Synonyms:paullinic acid;cis-13-eicosenoic acid;17735-94-3;13Z-eicosenoic acid;(Z)-icos-13-enoic acid;13-Eicosenoic acid, (13Z)-;icos-13-enoic acid;13-Eicosenoic acid;C20:1n-7;(Z)-13-Icosenoic acid;CCL3CM45AT;(Z)-13-Eicosenoic acid;(Z)-eicos-13-enoic acid;(13Z)-13-Eicosenoic acid;UNII-CCL3CM45AT;(13Z)-icos-13-enoic acid;(13Z)-eicos-13-enoic acid;SCHEMBL2733334;DTXSID80402624;CHEBI:134479;URXZXNYJPAJJOQ-FPLPWBNLSA-N;LMFA01030367;MS-24525;HY-113094;CS-0059553;C21946;F82238;cis-13-Eicosenoic acid, ~99% (capillary GC);J-011272;Q2707986

Chemical Property of Paullinic acid

Chemical Property:

• Vapor Pressure: 1.84E-08mmHg at 25°C
• Refractive Index: 1.467
• Boiling Point: 426.3°C at 760 mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 323°C
• PSA: 37.30000
• Density: 0.895g/cm³
• LogP: 6.88870
• Storage Temp.: −20°C
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 17
• Exact Mass: 310.287180451
• Heavy Atom Count: 22
• Complexity: 258

Purity/Quality:

99% ^*data from raw suppliers

Paullinicacid ≥98.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC=CCCCCCCCCCCCC(=O)O
• Isomeric SMILES: CCCCCC/C=C\CCCCCCCCCCCC(=O)O
• Description: Paullinic acid is an omega-7 fatty acid find in a variety of plant sources , including guarana (Paullinia cupana) from which it gets its name. 13(Z)-Eicosenoic acid is an ω-7 fatty acid found in a variety of fish from the Indian, Atlantic, and Pacific oceans. It increases triglyceride accumulation in 3T3-L1 cells when used at a concentration of 50 μM.