Record Information
Version1.0
Creation date2010-04-08 22:11:14 UTC
Update date2015-07-20 23:07:33 UTC
Primary IDFDB014375
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameSilica
DescriptionThe chemical compound silicon dioxide, also known as silica (from the Latin silex), is an oxide of silicon with a chemical formula of SiO2 and has been known for its hardness since antiquity. Silica is most commonly found in nature as sand or quartz, as well as in the cell walls of diatoms. Silica is the most abundant mineral in the Earth's crust.
CAS Number7631-86-9
Structure
Thumb
Synonyms
SynonymSource
(SiO2)NChEBI
[SiO2]ChEBI
KieselsaeureanhydridChEBI
Silica, amorphousChEBI
Silicic anhydrideChEBI
SiliziumdioxidChEBI
SiO2ChEBI
e551HMDB
Silicon dioxideHMDB
Silicon(IV) oxide (sio2)HMDB
SilicaChEBI
Quso g32MeSH
TridymiteMeSH
g32, QusoMeSH
Quso g-32MeSH
Aerosil 380MeSH
380, AerosilMeSH
AerosilMeSH
CristobaliteMeSH
Dioxide, siliconMeSH
Quso g 32MeSH
E551db_source
Silicon(IV) oxide (SiO2)db_source
Predicted Properties
PropertyValueSource
logP-0.66ChemAxon
pKa (Strongest Basic)-8.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area34.14 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity2.89 m³·mol⁻¹ChemAxon
Polarizability3.28 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaO2Si
IUPAC namesilanedione
InChI IdentifierInChI=1S/O2Si/c1-3-2
InChI KeyVYPSYNLAJGMNEJ-UHFFFAOYSA-N
Isomeric SMILESO=[Si]=O
Average Molecular Weight60.0843
Monoisotopic Molecular Weight59.966755777
Classification
Description belongs to the class of inorganic compounds known as metalloid oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a metalloid.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassMetalloid organides
Sub ClassMetalloid oxides
Direct ParentMetalloid oxides
Alternative Parents
Substituents
  • Metalloid oxide
  • Inorganic oxide
  • Inorganic salt
  • Inorganic metalloid salt
Molecular FrameworkNot Available
External Descriptors
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionO 53.26%; Si 46.74%DFC
Melting PointMp 1716-1736°DFC
Boiling PointBp 2230°DFC
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 GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a4i-9000000000-323f84989f35f1417b82View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-9000000000-e7c4234160a0a56fb989View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-9000000000-e7c4234160a0a56fb989View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-9000000000-e7c4234160a0a56fb989View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-9000000000-d744243e5638115c0d4cView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0a4i-9000000000-d744243e5638115c0d4cView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4i-9000000000-d744243e5638115c0d4cView in MoNA
ChemSpider ID22683
ChEMBL IDCHEMBL3188292
KEGG Compound IDC16459
Pubchem Compound ID24261
Pubchem Substance IDNot Available
ChEBI ID30563
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB35659
CRC / DFC (Dictionary of Food Compounds) IDJPW83-A:JPW83-A
EAFUS ID3397
Dr. Duke IDSILICON-DIOXIDE|SILICA
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDrw1282321
SuperScent IDNot Available
Wikipedia IDSilica
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
odorless
  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— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).