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Showing Compound Cobalt sulfate (FDB013604)

Record Information
Version1.0
Creation date2010-04-08 22:10:48 UTC
Update date2019-11-26 03:08:41 UTC
Primary IDFDB013604
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameCobalt sulfate
DescriptionCobalt sulfate, also known as cobalt brown or COSO4, belongs to the class of inorganic compounds known as transition metal sulfates. These are inorganic compounds in which the largest oxoanion is sulfate, and in which the heaviest atom not in an oxoanion is a transition metal. Cobalt sulfate has been detected, but not quantified in, alcoholic beverages. This could make cobalt sulfate a potential biomarker for the consumption of these foods. Cobalt sulfate is formally rated as a possible carcinogen (by IARC 2B) and is also a potentially toxic compound. Based on a literature review a significant number of articles have been published on Cobalt sulfate.
CAS Number10124-43-3
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
Cobalt (2+) sulfateChEBI
Cobalt brownChEBI
Cobalt monosulfateChEBI
Cobalt(II) sulfateChEBI
Cobaltous sulfateChEBI
CoSO4ChEBI
Cobalt (2+) sulfuric acidGenerator
Cobalt (2+) sulphateGenerator
Cobalt (2+) sulphuric acidGenerator
Cobalt monosulfuric acidGenerator
Cobalt monosulphateGenerator
Cobalt monosulphuric acidGenerator
Cobalt(II) sulfuric acidGenerator
Cobalt(II) sulphateGenerator
Cobalt(II) sulphuric acidGenerator
Cobaltous sulfuric acidGenerator
Cobaltous sulphateGenerator
Cobaltous sulphuric acidGenerator
Cobalt sulfuric acidGenerator
Cobalt sulphateGenerator
Cobalt sulphuric acidGenerator
Cobalt sulfate, heptahydrateMeSH
Cobalt sulfatebiospider
Cobalt sulfate (1:1)biospider
Cobalt sulfate (CoSO4)biospider
Cobalt sulfate?db_source
cobalt(2+) sulfatebiospider
Cobalt(ii) sulfate (1:1)biospider
Cobaltous sulfate salt (1:1)biospider
COBALTOUS SULFATE, COSO4, ANHbiospider
Sulfuric acid, cobalt(2+) salt (1:1)biospider
Predicted Properties
PropertyValueSource
logP-0.84ChemAxon
pKa (Strongest Acidic)-3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area80.26 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity11.53 m³·mol⁻¹ChemAxon
Polarizability5.81 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaCoO4S
IUPAC nameλ²-cobalt(2+) ion sulfate
InChI IdentifierInChI=1S/Co.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
InChI KeyKTVIXTQDYHMGHF-UHFFFAOYSA-L
Isomeric SMILES[Co++].[O-]S([O-])(=O)=O
Average Molecular Weight154.996
Monoisotopic Molecular Weight154.884929372
Classification
Description Belongs to the class of inorganic compounds known as transition metal sulfates. These are inorganic compounds in which the largest oxoanion is sulfate, and in which the heaviest atom not in an oxoanion is a transition metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassTransition metal oxoanionic compounds
Sub ClassTransition metal sulfates
Direct ParentTransition metal sulfates
Alternative Parents
Substituents
  • Transition metal sulfate
  • Inorganic cobalt salt
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External Descriptors
Ontology
Physiological effect

Health effect:

Disposition

Route of exposure:

Source:

Process

Naturally occurring process:

Role

Industrial application:

Biological role:

Physico-Chemical Properties
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionCo 38.02%; O 41.29%; S 20.69%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
EI-MS/GC-MS
TypeDescriptionSplash KeyView
Predicted GC-MSCobalt sulfate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-0udi-3900000000-c6edbf576edf3f1ca4c1Spectrum
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a4i-0900000000-d71ae8725eee463634122016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0a4i-0900000000-d71ae8725eee463634122016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4i-0900000000-d71ae8725eee463634122016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0udi-0900000000-120ee1a77ec9ad69239b2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0udi-0900000000-120ee1a77ec9ad69239b2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0udi-0900000000-120ee1a77ec9ad69239b2016-08-03View Spectrum
NMRNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDC17383
Pubchem Compound ID24965
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB35000
CRC / DFC (Dictionary of Food Compounds) IDJFN98-X:JFN98-X
EAFUS ID725
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 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