Zinc oxide (T3D0736)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesGene RegulationTargets (1)XML
Targets (1)
Record Information
Version2.0
Creation Date2009-03-27 01:14:43 UTC
Update Date2014-12-24 20:22:43 UTC
Accession NumberT3D0736
Identification
Common NameZinc oxide
ClassSmall Molecule
DescriptionZinc oxide is a nutrient supplement. Zinc oxide is a constituent of cigarette filters for removal of selected components from tobacco smoke. Zinc oxide is a filter consisting of charcoal impregnated with zinc oxide and iron oxide removes significant amounts of HCN and H2S from tobacco smoke without affecting its flavor. Zinc oxide is an amphoteric oxide. It is nearly insoluble in water and alcohol, but it is soluble in (degraded by) most acids, such as hydrochloric acid:; Zinc oxide is an inorganic compound with the formula ZnO. It usually appears as a white powder, nearly insoluble in water. The powder is widely used as an additive into numerous materials and products including plastics, ceramics, glass, cement, rubber (e.g. car tyres), lubricants, paints, ointments, adhesives, sealants, pigments, foods (source of Zn nutrient), batteries, ferrites, fire retardants, first aid tapes, etc. ZnO is present in the Earth crust as a mineral zincite; however, most ZnO used commercially is produced synthetically. Zinc white is used as a pigment in paints and is more opaque than lithopone, but less opaque than titanium dioxide. It is also used in coatings for paper. Chinese white is a special grade of zinc white used in artists' pigments. Because it reflects both UVA and UVB rays of ultraviolet light, zinc oxide can be used in ointments, creams, and lotions to protect against sunburn and other damage to the skin caused by ultraviolet light (see sunscreen). It is the broadest spectrum UVA and UVB absorber that is approved for use as a sunscreen by the FDA, and is completely photostable. It is also a main ingredient of mineral makeup. ZnO is a relatively soft material with approximate hardness of 4.5 on the Mohs scale. Its elastic constants are smaller than those of relevant III-V semiconductors, such as GaN. The high heat capacity and heat conductivity, low thermal expansion and high melting temperature of ZnO are beneficial for ceramics.
Zinc oxide has been shown to exhibit anti-inflammatory and antibiotic functions (2, 3).
Zinc oxide belongs to the family of Transition Metal 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 transition metal.
Compound Type
  • Cosmetic Toxin
  • Food Toxin
  • Household Toxin
  • Inorganic Compound
  • Metabolite
  • Nitrate
  • Nitrite
  • Synthetic Compound
  • Zinc Compound
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
Synonym
Activox
Activox b
Actox 14
Actox 16
Actox 216
Akro-zinc Bar 85
Akro-zinc bar 90
Amalox
Azo-55TT
Azo-66TT
Azo-77TT
Azodox
Azodox-55
Azodox-55TT
Blanc de zinc
C-Weiss 8
C.I. Pigment white 4
Cadox XX 78
Canfelzo
Chinese white
CI Pigment white 4
Colloidal zinc oxide
Decelox
Dense zinc oxide
Denzox
Electox 2500
Electrox
Electrox 2500
Emanay zinc oxide
EMAR
Entrox
Extrox
Felling zinc oxide
Felzodox
Finex-25
Flores de zinci
Flowers of zinc
Fotofax
Garozinc
GIAP 10
Green seal-8
Hubbuck'S white
Hubbucks white
K-Zinc
Kadox 15
Kadox 72
Kadox-25
Ken-zinc
Leaded zinc oxide
Low purity zinc oxide
Methicone
Microx
No-genol
Nogenol
Octocure 553
Outmine
Oxide, zinc
Ozide
OZLO
Paste, lassar's
Permanent white
Philosopher'S wool
Photozinc
Pigment white 4
Powder base 900
Protox 166
Protox 168
Protox 169
Protox type 166
Protox type 167
Protox type 168
Protox type 169
Protox type 267
Protox type 268
Red Seal 9
Rubox
Rvpaque
Snow white
Tertiary zinc oxide
Unichem zo
Vandem vac
Vandem voc
Vandem VPC
Vita zinc
White seal-7
Zinc monoxide
Zinc oxides
Zinc white
Zinca 20
Zinci oxicum
Zinci oxydum
Zincite
Zincoid
Zink white
Zinkoxid
Zinox
Ziradryl
ZnO
Chemical FormulaOZn
Average Molecular Mass81.408 g/mol
Monoisotopic Mass79.924 g/mol
CAS Registry Number1314-13-2
IUPAC Nameoxozinc
Traditional Namezinc oxide
SMILESO=[Zn]
InChI IdentifierInChI=1S/O.Zn
InChI KeyInChIKey=XLOMVQKBTHCTTD-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as transition metal 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 transition metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassTransition metal organides
Sub ClassTransition metal oxides
Direct ParentTransition metal oxides
Alternative Parents
Substituents
  • Transition metal oxide
  • Inorganic oxide
  • Inorganic 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 Point1975°C
Boiling Point~125°C (decomposes)
SolubilityNot Available
LogPNot Available
Predicted Properties
PropertyValueSource
logP-0.2ChemAxon
pKa (Strongest Basic)-5.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area17.07 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity1.44 m³·mol⁻¹ChemAxon
Polarizability3 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-9000000000-31fd3c01ac139f4d68852017-07-26View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-9000000000-31fd3c01ac139f4d68852017-07-26View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-9000000000-31fd3c01ac139f4d68852017-07-26View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9000000000-87e502c1ba6f9a98febc2017-07-26View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-9000000000-87e502c1ba6f9a98febc2017-07-26View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9000000000-87e502c1ba6f9a98febc2017-07-26View Spectrum
Toxicity Profile
Route of ExposureInhalation (8) ; oral (8) ; dermal (8)
Mechanism of ToxicityAnaemia results from the excessive absorption of zinc suppressing copper and iron absorption, most likely through competitive binding of intestinal mucosal cells. Unbalanced levels of copper and zinc binding to Cu,Zn-superoxide dismutase has been linked to amyotrophic lateral sclerosis (ALS). Stomach acid dissolves metallic zinc to give corrosive zinc chloride, which can cause damage to the stomach lining. Metal fume fever is thought to be an immune response to inhaled zinc. (7, 8, 1)
MetabolismZinc can enter the body through the lungs, skin, and gastrointestinal tract. Intestinal absorption of zinc is controlled by zinc carrier protein CRIP. Zinc also binds to metallothioneins, which help prevent absorption of excess zinc. Zinc is widely distributed and found in all tissues and tissues fluids, concentrating in the liver, gastrointestinal tract, kidney, skin, lung, brain, heart, and pancreas. In the bloodstream zinc is found bound to carbonic anhydrase in erythrocytes, as well as bound to albumin, _2-macroglobulin, and amino acids in the the plasma. Albumin and amino acid bound zinc can diffuse across tissue membranes. Zinc is excreted in the urine and faeces. (8)
Toxicity ValuesLD50: 240 mg/kg (Intraperitoneal, Rat) (4) LD50: 7950 mg/kg (Oral, Mouse) (4) LC50: 5.7 mg/L over 4 hours (Inhalation, Mouse) (5)
Lethal DoseNot Available
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Uses/SourcesZinc oxide is a semiconductor and used as an additive in materials such as plastics, ceramics, glass, cement, rubber, lubricants, paints, ointments, adhesives, sealants, dietary supplements, and batteries. (9)
Minimum Risk LevelIntermediate Oral: 0.3 mg/kg/day (11) Chronic Oral: 0.3 mg/kg/day (11)
Health EffectsChronic exposure to zinc causes anemia, atazia, lethargy, and decreases the level of good cholesterol in the body. It is also believed to cause pancreatic and reproductive damage. (8)
SymptomsIngestion of large doses of zinc causes stomach cramps, nausea, and vomiting. Acute inhalation of large amounts of zinc causes metal fume fever, which is characterized by chills, fever, headache, weakness, dryness of the nose and throat, chest pain, and coughing. Dermal contact with zinc results in skin irritation. (8)
TreatmentZinc poisoning is treated symptomatically, often by administering fluids such as water or milk, or with gastric lavage. (8)
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB34908
PubChem Compound ID3007857
ChEMBL IDNot Available
ChemSpider ID2277402
KEGG IDC12570
UniProt IDNot Available
OMIM ID
ChEBI ID36560
BioCyc IDNot Available
CTD IDD015034
Stitch IDZinc oxide
PDB IDNot Available
ACToR ID10635
Wikipedia LinkZinc_oxide
References
Synthesis ReferenceNot Available
MSDSLink
General References
  1. Vonk WI, Klomp LW: Role of transition metals in the pathogenesis of amyotrophic lateral sclerosis. Biochem Soc Trans. 2008 Dec;36(Pt 6):1322-8. doi: 10.1042/BST0361322. [19021549 ]
  2. Hara M, Watanabe M, Tagami H: Jacquet erosive diaper dermatitis in a young girl with urinary incontinence. Pediatr Dermatol. 1991 Jun;8(2):160-1. [1923987 ]
  3. Seif S, Kazempour ZB, Pourmand MR, Shahverdi HR, Amanlou M, Bazl R, Nazari ZE, Shahverdi AR: Preparation of ciprofloxacin-coated zinc oxide nanoparticles and their antibacterial effects against clinical isolates of Staphylococcus aureus and Escherichia coli. Arzneimittelforschung. 2011;61(8):472-6. [21950151 ]
  4. Lewis RJ Sr. (ed) (2004). Sax's Dangerous Properties of Industrial Materials. 11th Edition. Hoboken, NJ: Wiley-Interscience, Wiley & Sons, Inc.
  5. European Chemicals Bureau (2004). EU Risk Assessment Report- Zinc oxide, Vol.43.
  6. Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.
  7. Wikipedia. Zinc. Last Updated 24 March 2009. [Link]
  8. ATSDR - Agency for Toxic Substances and Disease Registry (2005). Toxicological profile for zinc. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
  9. Wikipedia. Zinc oxide. Last Updated 21 March 2009. [Link]
  10. Wikipedia. Metallothionein. Last Updated 20 December 2008. [Link]
  11. ATSDR - Agency for Toxic Substances and Disease Registry (2001). Minimal Risk Levels (MRLs) for Hazardous Substances. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
Gene Regulation
Up-Regulated Genes
GeneGene SymbolGene IDInteractionChromosomeDetails
Down-Regulated GenesNot Available

Targets

Target Details
1. Superoxide dismutase [Cu-Zn]
General Function:
Zinc ion binding
Specific Function:
Destroys radicals which are normally produced within the cells and which are toxic to biological systems.
Gene Name:
SOD1
Uniprot ID:
P00441
Molecular Weight:
15935.685 Da
References
  1. Vonk WI, Klomp LW: Role of transition metals in the pathogenesis of amyotrophic lateral sclerosis. Biochem Soc Trans. 2008 Dec;36(Pt 6):1322-8. doi: 10.1042/BST0361322. [19021549 ]