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Record Information
Version1.0
Creation Date2014-09-11 02:06:06 UTC
Update Date2016-11-09 01:09:11 UTC
Accession NumberCHEM003671
Identification
Common NameSilica
ClassSmall Molecule
DescriptionSilica is found in barley. The 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. Silica has been shown to exhibit immunosuppressant, hypocholesterolemic, anti-allergenic, anti-apoptotic and anti-histamine functions (1, 2, 3, 4, 3). Silica belongs to the family of 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.
Contaminant Sources
  • EAFUS Chemicals
  • FooDB Chemicals
  • HPV EPA Chemicals
  • IARC Carcinogens Group 1
  • IARC Carcinogens Group 3
  • OECD HPV Chemicals
  • T3DB toxins
  • ToxCast & Tox21 Chemicals
Contaminant Type
  • Food Toxin
  • Household Toxin
  • Inorganic Compound
  • Metabolite
  • Metalloid
  • Mineral
  • Natural Compound
  • Plant Toxin
Chemical Structure
Thumb
Synonyms
ValueSource
(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
Chemical FormulaO2Si
Average Molecular Mass60.084 g/mol
Monoisotopic Mass59.967 g/mol
CAS Registry Number7631-86-9
IUPAC Namesilanedione
Traditional Namesilica
SMILESO=[Si]=O
InChI IdentifierInChI=1S/O2Si/c1-3-2
InChI KeyVYPSYNLAJGMNEJ-UHFFFAOYSA-N
Chemical Taxonomy
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
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cytoplasm
  • Extracellular
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateSolid
AppearanceWhite powder.
Experimental Properties
PropertyValue
Melting Point1716 - 1736 °C
Boiling PointNot Available
SolubilityNot Available
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
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MSsplash10-0a4i-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
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Crystalline silica in the form of quartz or cristobalite dust is carcinogenic to humans (Group 1). Amorphous silica is not classifiable as to its carcinogenicity to humans (Group 3). (6)
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB0035659
FooDB IDFDB004246
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkSilicon dioxide
Chemspider ID22683
ChEBI ID30563
PubChem Compound ID24261
Kegg Compound IDC16459
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=8991630
2. Yamamoto K, Granger DL, Brehmer W, Azuma I, Ribi E: Inhibition of pulmonary granuloma formation in mice by treatment with Mycobacterial protoplasm and immuno-suppressants and its relation to protection against aerosol infection with virulent Mycobacterium tuberculosis. Zentralbl Bakteriol Mikrobiol Hyg A. 1981;250(1-2):127-41.
3. Peluso MR, Schneeman BO: A food-grade silicon dioxide is hypocholesterolemic in the diet of cholesterol-fed rats. J Nutr. 1994 Jun;124(6):853-60.
4. Bhushan R, Reena, Chauhan RS: Separation of some antihistamines on impregnated TLC silica plates. Biomed Chromatogr. 1989 Jan;3(1):46-7.
5. Gozal E, Ortiz LA, Zou X, Burow ME, Lasky JA, Friedman M: Silica-induced apoptosis in murine macrophage: involvement of tumor necrosis factor-alpha and nuclear factor-kappaB activation. Am J Respir Cell Mol Biol. 2002 Jul;27(1):91-8.
6. Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.