Record Information
Version1.0
Creation date2010-04-08 22:11:49 UTC
Update date2018-01-23 19:40:40 UTC
Primary IDFDB015407
Secondary Accession NumbersNot Available
Chemical Information
FooDB NamePotassium persulfate (K2S2O8)
DescriptionDefoamer and dispersing adjuvant for coatings on fresh citrus fruits. Potassium persulfate (K2S2O8) is found in citrus.
CAS Number7727-21-1
Structure
Thumb
Synonyms
SynonymSource
Potassium peroxydisulfateMeSH
Potassium monopersulfateMeSH
Potassium peroxodisulfateMeSH
Anthionbiospider
Dipotassium [(sulfonatoperoxy)sulfonyl]oxidanidebiospider
Dipotassium peroxodisulphatebiospider
Dipotassium peroxydisulfatebiospider
Dipotassium persulfatebiospider
Peroxydisulfuric acid (((HO)S(O)2)2O2) , dipotassium saltbiospider
Peroxydisulfuric acid (((HO)S(O)2)2O2), dipotassium saltbiospider
Peroxydisulfuric acid, dipotassium saltbiospider
Peroxydisulfuric(VI) acid, dipotassium salt, 8CIdb_source
Potassium peroxodisulfate(VI)db_source
Potassium peroxydisulfate (K2(S2O8))biospider
Potassium peroxydisulphatebiospider
Potassium persulfatebiospider
Potassium persulfate [UN1492] [Oxidizer]biospider
Predicted Properties
PropertyValueSource
logP-0.93ChemAxon
pKa (Strongest Acidic)-3.5ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area132.86 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity22.87 m³·mol⁻¹ChemAxon
Polarizability11.73 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaK2O8S2
IUPAC namedipotassium O-[(sulfonatoperoxy)sulfonyl]oxidanidolate
InChI IdentifierInChI=1S/2K.H2O8S2/c;;1-9(2,3)7-8-10(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2
InChI KeyUSHAGKDGDHPEEY-UHFFFAOYSA-L
Isomeric SMILES[K+].[K+].[O-]S(=O)(=O)OOS([O-])(=O)=O
Average Molecular Weight270.322
Monoisotopic Molecular Weight269.830872078
Classification
DescriptionThis compound belongs to the class of chemical entities known as alkali metal peroxodisulfates. These are inorganic compounds in which the largest oxoanion is peroxodisulfate, and in which the heaviest atom not in an oxoanion is an alkali metal.
KingdomChemical entities
Super ClassInorganic compounds
ClassMixed metal/non-metal compounds
Sub ClassAlkali metal oxoanionic compounds
Direct ParentAlkali metal peroxodisulfates
Alternative Parents
Substituents
  • Alkali metal peroxodisulfate
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External DescriptorsNot Available
Ontology
OntologyShould have ontology for this compound
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionK 28.93%; O 47.35%; S 23.72%DFC
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
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-00di-0090000000-32c36f0af07f5725b015View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00di-0390000000-33e3cfabee7b22152e8eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-01b9-4950000000-2ece9c4cf2918bd62d70View in MoNA
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID24412
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDKBX32-G:KBX32-G
EAFUS ID3143
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