Record Information
Version1.0
Creation date2010-04-08 22:06:09 UTC
Update date2020-02-24 19:10:46 UTC
Primary IDFDB004245
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameSilicic acid
DescriptionSilicic acid, also known as kieselsaeure or monosilicate, belongs to the class of inorganic compounds known as miscellaneous silicates. These are inorganic compounds in which the largest metallic oxoanion is silicate, to which either no atom or a non metal atom is bonded. Silicic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). Silicic acid is found, on average, in the highest concentration within borages. Silicic acid has also been detected, but not quantified in, several different foods, such as common beans, common buckwheats, oats, and rices. This could make silicic acid a potential biomarker for the consumption of these foods.
CAS Number10193-36-9
Structure
Thumb
Synonyms
SynonymSource
Not AvailableNot Available
Predicted Properties
PropertyValueSource
logP-2.6ChemAxon
pKa (Strongest Acidic)9.82ChemAxon
pKa (Strongest Basic)-4.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area80.92 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity10.26 m³·mol⁻¹ChemAxon
Polarizability6.37 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaH4O4Si
IUPAC namesilicic acid
InChI IdentifierInChI=1S/H4O4Si/c1-5(2,3)4/h1-4H
InChI KeyRMAQACBXLXPBSY-UHFFFAOYSA-N
Isomeric SMILESO[Si](O)(O)O
Average Molecular Weight96.1149
Monoisotopic Molecular Weight95.987885149
Classification
Description Belongs to the class of inorganic compounds known as miscellaneous silicates. These are inorganic compounds in which the largest metallic oxoanion is silicate, to which either no atom or a non metal atom is bonded.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassMiscellaneous mixed metal/non-metals
Sub ClassMiscellaneous metallic oxoanionic compounds
Direct ParentMiscellaneous silicates
Alternative Parents
Substituents
  • Silicate
  • Inorganic salt
  • Inorganic metalloid salt
Molecular FrameworkNot Available
External Descriptors
Ontology
Disposition

Route of exposure:

Source:

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
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
Predicted GC-MSSilicic acid, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-004i-9000000000-c94d8c0d2031d9a30b6aSpectrum
Predicted GC-MSSilicic acid, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-9000000000-e779cf82613220cecdd62016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-9000000000-75fa07d2fea63472b2ac2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-9000000000-24e28c25d3b3c83724cd2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0006-9000000000-8ebb77c4451830b2cd0c2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0006-9000000000-53a423daf9f88cf6ffbe2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-9000000000-5cf3ca522210731cfb692016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004l-9000000000-2c96ca6b3720abb321f12021-09-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-2bd0f25dfdedade1cac32021-09-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-00or-9000000000-22132c895ee7085d292e2021-09-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-9000000000-4846b867c8de2d68c5922021-09-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-9000000000-bee5f7f413e4f6843fe22021-09-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-004j-9000000000-0de9fcb309c656b35e022021-09-23View Spectrum
NMRNot Available
ChemSpider ID14236
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID14942
Pubchem Substance IDNot Available
ChEBI ID26675
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB31436
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDSILICIC-ACID
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 IDSilicic_acid
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / Bioactivities
DescriptorIDDefinitionReference
anti diabetic52217 Any substance introduced into a living organism with therapeutic or diagnostic purpose.DUKE
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).