Record Information
Version1.0
Creation date2010-04-08 22:11:45 UTC
Update date2015-07-20 23:16:10 UTC
Primary IDFDB015271
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameSodium propionate
DescriptionSodium propionate, also known as natriumpropionat or E281, belongs to the class of organic compounds known as carboxylic acid salts. These are ionic derivatives of carboxylic acid. Sodium propionate is a weakly acidic compound (based on its pKa). Sodium propionate is a bland tasting compound.
CAS Number137-40-6
Structure
Thumb
Synonyms
SynonymSource
e281ChEBI
NatriumpropionatChEBI
Propanoic acid, sodium saltChEBI
Propionic acid sodium saltChEBI
Sodium propionate anhydrousChEBI
Propanoate, sodium saltGenerator
Propionate sodium saltGenerator
Sodium propionic acid anhydrousGenerator
Sodium propionic acidGenerator
Bioban-sbiospider
Deketonbiospider
E281db_source
Impedexbiospider
Keenatebiospider
Luprosil sodium saltbiospider
Napropionbiospider
Ocuseptinebiospider
Propanoic acid, sodium salt (1:1)biospider
Propanoic acid, sodium salt (2:1)biospider
Propanoic acid, sodium salt, hydratebiospider
Propi-ophtalbiospider
Propiofarbiospider
Propionbiospider
Propionan sodnybiospider
Propionic acid sodium salt, anhydrousbiospider
Propionic acid, sodium saltbiospider
Propisolbiospider
Sodium dipropionatebiospider
Sodium hydrogen dipropionatebiospider
Sodium propanoatebiospider
Sodium propionatedb_source
Sodium propionate (anhydrous)biospider
Sodium propionate hydratebiospider
SPACbiospider
Whit-probiospider
Predicted Properties
PropertyValueSource
Water Solubility286 g/LALOGPS
logP0.49ALOGPS
logP0.48ChemAxon
logS0.47ALOGPS
pKa (Strongest Acidic)4.75ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area40.13 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity28.11 m³·mol⁻¹ChemAxon
Polarizability6.84 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaC3H5NaO2
IUPAC namesodium propanoate
InChI IdentifierInChI=1S/C3H6O2.Na/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1
InChI KeyJXKPEJDQGNYQSM-UHFFFAOYSA-M
Isomeric SMILES[Na+].CCC([O-])=O
Average Molecular Weight96.0604
Monoisotopic Molecular Weight96.018724079
Classification
Description belongs to the class of organic compounds known as carboxylic acid salts. These are ionic derivatives of carboxylic acid.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassCarboxylic acid derivatives
Direct ParentCarboxylic acid salts
Alternative Parents
Substituents
  • Carboxylic acid salt
  • Organic alkali metal salt
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organic sodium salt
  • Organic salt
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 37.51%; H 5.25%; Na 23.93%; O 33.31%DFC
Melting Point289 °C
Boiling PointNot Available
Experimental Water Solubilityapprox.]
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0zi1-9000000000-dbf951ce79c4e8fa27f3JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0fba-9000000000-0a507e34686999bf832bJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0udi-9000000000-f91aff3be6580f4a3bf9JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-9000000000-9b185c7bdcdecc77319bJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-9000000000-801efe69309ecb29168dJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4i-9000000000-ae3f8dbd682d6753b8c5JSpectraViewer
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID2723816
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDDFP47-D:JYY43-J
EAFUS ID3471
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDrw1099971
SuperScent IDNot Available
Wikipedia IDSodium_propionate
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
Flavours
FlavorCitations
bland
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference