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Showing Compound Sodium potassium tartrate (FDB016910)

Record Information
Version1.0
Creation date2010-04-08 22:12:43 UTC
Update date2018-05-29 01:28:51 UTC
Primary IDFDB016910
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameSodium potassium tartrate
DescriptionIt is used in food processing as an emulsifier and pH control agent It has been used medicinally as a laxative. It has also been used in the process of silvering mirrors. It is an ingredient of Fehling's solution, formerly used in the determination of reducing sugars in solutions.; It is a colorless to blue-white salt crystallizing in the orthorhombic system. Its molecular formula is KNaC4H4O6·4H2O. It is slightly soluble in alcohol but more completely soluble in water. It has a specific gravity of about 1.79, a melting point of approximately 75 °C, and has a saline, cooling taste. As a food additive, its E number is E337.; Potassium sodium tartrate is a double salt first prepared (in about 1675) by an apothecary, Pierre Seignette, of La Rochelle, France. As a result the salt was known as Seignette's salt or Rochelle salt. Rochelle salt is not to be confused with rock salt, which is simply the mineral form of sodium chloride. Potassium sodium tartrate and monopotassium phosphate were the first materials discovered to exhibit piezoelectricity. This property led to its extensive use in "crystal" gramophone (phono) pick-ups, microphones and earpieces during the post-War consumer electronics boom of the mid-20th Century. Such transducers had an exceptionally high output with typical pick-up cartridge outputs as much as 2 volts or more. Rochelle salt is deliquescent so any transducers based on the material deteriorated if stored in damp conditions.
CAS Number304-59-6
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
Predicted Properties
PropertyValueSource
Water Solubility608 g/LALOGPS
logP-1.9ALOGPS
logP-1.8ChemAxon
logS0.46ALOGPS
pKa (Strongest Acidic)2.72ChemAxon
pKa (Strongest Basic)-4.3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area120.72 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity47.89 m³·mol⁻¹ChemAxon
Polarizability10.82 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC4H4KNaO6
IUPAC namepotassium sodium 2,3-dihydroxybutanedioate
InChI IdentifierInChI=1S/C4H6O6.K.Na/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2
InChI KeyLJCNRYVRMXRIQR-UHFFFAOYSA-L
Isomeric SMILES[Na+].[K+].OC(C(O)C([O-])=O)C([O-])=O
Average Molecular Weight210.159
Monoisotopic Molecular Weight209.954264396
Classification
Description Belongs to the class of organic compounds known as beta hydroxy acids and derivatives. Beta hydroxy acids and derivatives are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassHydroxy acids and derivatives
Sub ClassBeta hydroxy acids and derivatives
Direct ParentBeta hydroxy acids and derivatives
Alternative Parents
Substituents
  • Beta-hydroxy acid
  • Short-chain hydroxy acid
  • Fatty acid
  • Dicarboxylic acid or derivatives
  • Monosaccharide
  • 1,2-diol
  • Carboxylic acid salt
  • Secondary alcohol
  • Carboxylic acid derivative
  • Organic alkali metal salt
  • Carboxylic acid
  • Organic oxygen compound
  • Organooxygen compound
  • Organic salt
  • Organic potassium salt
  • Organic sodium salt
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
OntologyNo ontology term
Physico-Chemical Properties
Physico-Chemical Properties - Experimental
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0wt9-0910000000-642769215086bd8522ac2019-02-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03dj-7900000000-952f2f3a4acff10451d92019-02-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0aor-9500000000-0c623462c646c60f23702019-02-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-0090000000-6ff6ac5219b06314bd952019-02-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0a4i-0090000000-6ff6ac5219b06314bd952019-02-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4i-0090000000-6ff6ac5219b06314bd952019-02-23View Spectrum
NMRNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID9357
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDBTJ82-E:KTY66-U
EAFUS ID3470
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDSodium_potassium_tartrate
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
Processing...
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