Record Information
Version1.0
Creation date2010-04-08 22:08:58 UTC
Update date2018-05-28 23:26:59 UTC
Primary IDFDB010129
Secondary Accession NumbersNot Available
Chemical Information
FooDB NamePotassium oleate
DescriptionIt is used as a food additive .
CAS Number143-18-0
Structure
Thumb
Synonyms
SynonymSource
9-Octadecenoic acid (9Z)-, potassium saltbiospider
9-Octadecenoic acid (9Z)-, potassium salt (1:1)biospider
9-Octadecenoic acid (Z)-, potassium saltbiospider
9-Octadecenoic acid, potassium saltbiospider
Oleic acid, potassium saltbiospider
potassium 9-(Z)-octadecenoatebiospider
Potassium 9-octadecenoatebiospider
Potassium 9-octadecenoate, (Z)-biospider
Potassium cis-9-octadecenoatebiospider
Potassium Cis-9-octadecenoic Acidbiospider
Trenamine D-200biospider
Trenamine D-201biospider
Predicted Properties
PropertyValueSource
Water Solubility4.0e-05 g/LALOGPS
logP7.45ALOGPS
logP6.78ChemAxon
logS-6.9ALOGPS
pKa (Strongest Acidic)4.99ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area40.13 ŲChemAxon
Rotatable Bond Count15ChemAxon
Refractivity98.24 m³·mol⁻¹ChemAxon
Polarizability36.6 ųChemAxon
Number of Rings0ChemAxon
Bioavailability0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaC18H33KO2
IUPAC namepotassium (9Z)-octadec-9-enoate
InChI IdentifierInChI=1S/C18H34O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+1/p-1/b10-9-;
InChI KeyMLICVSDCCDDWMD-KVVVOXFISA-M
Isomeric SMILES[K+].CCCCCCCC\C=C/CCCCCCCC([O-])=O
Average Molecular Weight320.5517
Monoisotopic Molecular Weight320.211762161
Classification
DescriptionThis compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acids and conjugates
Direct ParentLong-chain fatty acids
Alternative Parents
Substituents
  • Long-chain fatty acid
  • Unsaturated fatty acid
  • Carboxylic acid salt
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Hydrocarbon derivative
  • Organic alkali metal salt
  • Organic potassium salt
  • Organic salt
  • Organooxygen compound
  • Carbonyl group
  • Organic zwitterion
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
SpectraNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID23665571
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS ID3139
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference