T3DB: Zinc peroxide

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References Gene Regulation Targets (2)XML

Targets (2)

Record Information

Version

2.0

Creation Date

2009-03-27 01:18:55 UTC

Update Date

2014-12-24 20:22:43 UTC

Accession Number

T3D0737

Identification

Common Name

Zinc peroxide

Class

Small Molecule

Description

Zinc peroxide (ZnO2) appears as a bright yellow powder at room temperature. It was historically used as a surgical antiseptic. More recently zinc peroxide has also been used as an oxidant in explosives and pyrotechnic mixtures. Its properties have been described as a transition between ionic and covalent peroxides. Zinc peroxide is very hazardous in case of skin contact, of eye contact, ingestion, or inhalation. It has been shown to be corrosive to skin. Prolonged exposure may result in skin burns and ulcerations. Over-exposure by inhalation may cause respiratory irritation. Skin inflammation is characterized by itching, scaling, reddening, or, occasionally, blistering. Zinc Peroxide is toxic to lungs and mucous membranes. Repeated or prolonged exposure can produce organ damage. Repeated or prolonged inhalation of vapors may lead to chronic respiratory irritation.

Compound Type

Industrial/Workplace Toxin
Inorganic Compound
Lachrymator
Synthetic Compound
Zinc Compound

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym
Zinc bioxide
Zinc dioxide
Zinc peroxide, medicinal
Zinc superoxide
ZnO2
ZPO

Chemical Formula

H₂O₂Zn

Average Molecular Mass

99.424 g/mol

Monoisotopic Mass

97.935 g/mol

CAS Registry Number

1314-22-3

IUPAC Name

peroxol zinc

Traditional Name

hydrogen peroxide zinc

SMILES

[Zn].OO

InChI Identifier

InChI=1S/H2O2.Zn/c1-2;/h1-2H;

InChI Key

InChIKey=DLINORNFHVEIFE-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of inorganic compounds known as miscellaneous mixed metal/non-metals. These are inorganic compounds containing non-metal as well as metal atoms but not belonging to afore mentioned classes.

Kingdom

Inorganic compounds

Super Class

Mixed metal/non-metal compounds

Class

Miscellaneous mixed metal/non-metals

Sub Class

Not Available

Direct Parent

Miscellaneous mixed metal/non-metals

Alternative Parents

Inorganic salts

Substituents

Inorganic salt
Miscellaneous mixed metal/non-metal

Molecular Framework

Not Available

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Exogenous

Cellular Locations

Acrosome
Actin Cytoskeleton
Caveolae
Cell junction
Cell surface
Cytoplasm
Cytoskeleton
Cytosol
Endoplasmic reticulum
Extracellular
Extracellular matrix
Focal adhesion
Lysosome
Microsome
Microtubule
Mitochondrial Intermembrane Space
Mitochondrial Matrix
Mitochondrial Membrane
Mitochondrion
Nerve Fiber
Nuclear Matrix
Nucleolus
Peroxisome
Plasma Membrane
Ribosome
Synaptic Vesicle
Tubulin

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Name	SMPDB Link	KEGG Link
Apoptosis	Not Available	map04210
Cell cycle	Not Available	map04110
Oxidative phosphorylation	Not Available	map00190
Base excision repair	Not Available	map03410
Endocytosis	Not Available	map04144
Tetracyclines	Not Available	Not Available
Rna polymerase	Not Available	map03020
Proteasome	Not Available	Not Available
Non-homologous end-joining	Not Available	map03450
Tryptophan Metabolism	SMP00063	map00380
Pentose Phosphate Pathway	SMP00031	map00030
Nitrogen Metabolism	Not Available	Not Available
Insulin secretion	Not Available	map04911
Homologous recombination	Not Available	map03440
Glutathione Metabolism	SMP00015	map00480
Dna replication	Not Available	map03030
Carbon Metabolism	Not Available	Not Available
Ubiquitin mediated proteolysis	Not Available	map04120
Sulfur metabolism	Not Available	map00920
Spliceosome	Not Available	map03040
Phagosome	Not Available	map04145
Mismatch repair	Not Available	map03430
Melanogenesis	Not Available	map04916
Long-term potentiation	Not Available	map04720
Insulin signaling pathway	Not Available	map04910
Fatty acid Metabolism	SMP00051	map00071
Antifungal Agents	Not Available	Not Available
Allograft Rejection	Not Available	Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Solid

Appearance

White-yellow crystals.

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available
LogP	Not Available

Predicted Properties

Property	Value	Source
logP	-0.45	ChemAxon
pKa (Strongest Acidic)	11.52	ChemAxon
pKa (Strongest Basic)	-4.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	40.46 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	5.13 m³·mol⁻¹	ChemAxon
Polarizability	2.29 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0002-9000000000-9be9156afd3141e6f36e	2016-06-20	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0002-9000000000-9be9156afd3141e6f36e	2016-06-20	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0002-9000000000-9be9156afd3141e6f36e	2016-06-20	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0002-9000000000-12c106d60aa037bcb6c2	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0002-9000000000-12c106d60aa037bcb6c2	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0002-9000000000-12c106d60aa037bcb6c2	2016-08-03	View Spectrum

Toxicity Profile

Route of Exposure

Inhalation (3) ; oral (3) ; dermal (3)

Mechanism of Toxicity

Anaemia 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. (2, 3, 1)

Metabolism

Zinc 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. (3)

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

No indication of carcinogenicity to humans (not listed by IARC).

Uses/Sources

Zinc peroxide is used as a bleaching and curing agent, and as an additive in antiseptic ointments. (4)

Minimum Risk Level

Intermediate Oral: 0.3 mg/kg/day (6) Chronic Oral: 0.3 mg/kg/day (6)

Health Effects

Chronic 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. (3)

Symptoms

Ingestion 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. (3)

Treatment

Zinc poisoning is treated symptomatically, often by administering fluids such as water or milk, or with gastric lavage. (3)

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

External Links

DrugBank ID

Not Available

HMDB ID

Not Available

PubChem Compound ID

14809

ChEMBL ID

Not Available

ChemSpider ID

14125

KEGG ID

Not Available

UniProt ID

Not Available

OMIM ID

ChEBI ID

Not Available

BioCyc ID

Not Available

CTD ID

Not Available

Stitch ID

Zinc peroxide

PDB ID

Not Available

ACToR ID

Not Available

Wikipedia Link

Not Available

References

Synthesis Reference

Not Available

MSDS

T3D0737.pdf

General References

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 ]
Wikipedia. Zinc. Last Updated 24 March 2009. [Link]
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]
Wikipedia. Zinc peroxide. Last Updated 16 March 2009. [Link]
Wikipedia. Metallothionein. Last Updated 20 December 2008. [Link]
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

Not Available

Down-Regulated Genes

Not 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

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 ]

Target Details

2. Transient receptor potential cation channel subfamily A member 1

General Function:: Temperature-gated cation channel activity
Specific Function:: Receptor-activated non-selective cation channel involved in detection of pain and possibly also in cold perception and inner ear function (PubMed:25389312, PubMed:25855297). Has a central role in the pain response to endogenous inflammatory mediators and to a diverse array of volatile irritants, such as mustard oil, cinnamaldehyde, garlic and acrolein, an irritant from tears gas and vehicule exhaust fumes (PubMed:25389312, PubMed:20547126). Is also activated by menthol (in vitro)(PubMed:25389312). Acts also as a ionotropic cannabinoid receptor by being activated by delta(9)-tetrahydrocannabinol (THC), the psychoactive component of marijuana (PubMed:25389312). May be a component for the mechanosensitive transduction channel of hair cells in inner ear, thereby participating in the perception of sounds. Probably operated by a phosphatidylinositol second messenger system (By similarity).
Gene Name:: TRPA1
Uniprot ID:: O75762
Molecular Weight:: 127499.88 Da

References

Nilius B, Prenen J, Owsianik G: Irritating channels: the case of TRPA1. J Physiol. 2011 Apr 1;589(Pt 7):1543-9. doi: 10.1113/jphysiol.2010.200717. Epub 2010 Nov 15. [21078588 ]

Zinc peroxide (T3D0737)

Structure for T3D0737: Zinc peroxide

Targets

References

References