Hydrogen peroxide (Conc.> 52%) (CHEM004450)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-05-19 01:45:32 UTC
Update Date2016-11-09 01:09:21 UTC
Accession NumberCHEM004450
Identification
Common NameHydrogen peroxide (Conc.> 52%)
ClassSmall Molecule
DescriptionHydrogen peroxide is the simplest peroxide with a chemical formula H2O2. Hydrogen peroxide is an unstable compound in the presence of a base or catalyst, and is typically stored with a stabilizer in a weakly acidic solution. If heated to its boiling point, it may undergo potentially explosive thermal decomposition. Hydrogen peroxide is formed in the body of mammals during reduction of oxygen either directly in a two-electron transfer reaction . As a natural product of metabolism, it readily undergoes decomposition by catalase in normal cells . Due to its potent and broad-spectrum antimicrobial actions, hydrogen peroxide is used in both liquid and gas form for preservative, disinfection and sterilization applications as an oxidative biocide . It is used in industrial and cosmetic applications as a bleaching agent. Hydrogen peroxide is also considered as a generally recognized as safe compound by the FDA ; it is used as an antimicrobial agent in starch and cheese products, and as an oxidizing and reducing agent in products containing dried eggs, dried egg whites, and dried egg yolks.
Contaminant Sources
  • Clean Air Act Chemicals
  • EAFUS Chemicals
  • FooDB Chemicals
  • HPV EPA Chemicals
  • IARC Carcinogens Group 3
  • OECD HPV Chemicals
  • OSHA Hazardous Chemicals
  • STOFF IDENT Compounds
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
[OH(OH)]ChEBI
Dihydrogen dioxideChEBI
H2O2ChEBI
HOOHChEBI
OxydolChEBI
PerhydrolChEBI
OxyfullKegg
Adeka super elHMDB
AlboneHMDB
Albone 35HMDB
Albone DSHMDB
Anti-keim 50HMDB
AsepticperHMDB
BaquashockHMDB
CIXHMDB
Clarigel goldHMDB
Crestal whitestripsHMDB
CrystacideHMDB
DentaseptHMDB
Deslime LPHMDB
HioxylHMDB
HipoxHMDB
HybriteHMDB
Hydrogen dioxideHMDB
InhibineHMDB
Lase peroxideHMDB
Lensan aHMDB
Magic bleachingHMDB
MetrokurHMDB
MiraseptHMDB
Nite white excel 2HMDB
Odosat DHMDB
Opalescence xtraHMDB
OxigenalHMDB
OxyseptHMDB
Oxysept IHMDB
PegasylHMDB
PeroneHMDB
PeroxaanHMDB
PeroxcleanHMDB
Quasar briteHMDB
Select bleachHMDB
SuperoxolHMDB
T-StuffHMDB
Whiteness HPHMDB
WhitespeedHMDB
Xtra whiteHMDB
Hydrogen peroxide (H2O2)HMDB
HydroperoxideHMDB
Peroxide, hydrogenHMDB
Chemical FormulaH2O2
Average Molecular Mass34.015 g/mol
Monoisotopic Mass34.005 g/mol
CAS Registry Number7722-84-1
IUPAC Nameperoxol
Traditional Namehydrogen peroxide
SMILESOO
InChI IdentifierInChI=1S/H2O2/c1-2/h1-2H
InChI KeyMHAJPDPJQMAIIY-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as homogeneous other non-metal compounds. These are inorganic non-metallic compounds in which the largest atom belongs to the class of 'other non-metals'.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassHomogeneous other non-metal compounds
Sub ClassNot Available
Direct ParentHomogeneous other non-metal compounds
Alternative ParentsNot Available
Substituents
  • Homogeneous other non metal
Molecular FrameworkNot Available
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
logP-0.45ChemAxon
pKa (Strongest Acidic)11.52ChemAxon
pKa (Strongest Basic)-4.2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area40.46 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity5.13 m³·mol⁻¹ChemAxon
Polarizability2.29 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-001i-9000000000-4749d46780bc552fb9afSpectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-9000000000-50a90bb1548c24e83fbeSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000i-9000000000-50a90bb1548c24e83fbeSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-000i-9000000000-50a90bb1548c24e83fbeSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9000000000-a9a93dd42f2cfa0b34c4Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-9000000000-a9a93dd42f2cfa0b34c4Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9000000000-a9a93dd42f2cfa0b34c4Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9000000000-d77c0031598ec85f7286Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-9000000000-d77c0031598ec85f7286Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9000000000-d77c0031598ec85f7286Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-9000000000-86b45185e1deeaca15e1Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000i-9000000000-86b45185e1deeaca15e1Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-000i-9000000000-86b45185e1deeaca15e1Spectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDDB11091
HMDB IDHMDB0003125
FooDB IDFDB014562
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG ID33570
BioCyc IDHYDROGEN-PEROXIDE
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkHydrogen_peroxide
Chemspider ID763
ChEBI ID16240
PubChem Compound ID784
Kegg Compound IDC00027
YMDB IDYMDB00888
ECMDB IDECMDB21232
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. Lopez-Lazaro M: Dual role of hydrogen peroxide in cancer: possible relevance to cancer chemoprevention and therapy. Cancer Lett. 2007 Jul 8;252(1):1-8. Epub 2006 Dec 5.
2. Schallreuter KU, Elwary S: Hydrogen peroxide regulates the cholinergic signal in a concentration dependent manner. Life Sci. 2007 May 30;80(24-25):2221-6. Epub 2007 Jan 25.
3. Stone JR, Yang S: Hydrogen peroxide: a signaling messenger. Antioxid Redox Signal. 2006 Mar-Apr;8(3-4):243-70.
4. Tredwin CJ, Naik S, Lewis NJ, Scully C: Hydrogen peroxide tooth-whitening (bleaching) products: review of adverse effects and safety issues. Br Dent J. 2006 Apr 8;200(7):371-6.
5. Ardanaz N, Pagano PJ: Hydrogen peroxide as a paracrine vascular mediator: regulation and signaling leading to dysfunction. Exp Biol Med (Maywood). 2006 Mar;231(3):237-51.
6. Go YM, Chandler JD, Jones DP: The cysteine proteome. Free Radic Biol Med. 2015 Jul;84:227-245. doi: 10.1016/j.freeradbiomed.2015.03.022. Epub 2015 Apr 3.
7. Sies H: Hydrogen peroxide as a central redox signaling molecule in physiological oxidative stress: Oxidative eustress. Redox Biol. 2017 Apr;11:613-619. doi: 10.1016/j.redox.2016.12.035. Epub 2017 Jan 5.
8. Veal EA, Day AM, Morgan BA: Hydrogen peroxide sensing and signaling. Mol Cell. 2007 Apr 13;26(1):1-14. doi: 10.1016/j.molcel.2007.03.016.
9. Schallreuter KU: Successful treatment of oxidative stress in vitiligo. Skin Pharmacol Appl Skin Physiol. 1999 May-Jun;12(3):132-8. doi: 10.1159/000029867.
10. Hiramoto K, Kida T, Kikugawa K: Increased urinary hydrogen peroxide levels caused by coffee drinking. Biol Pharm Bull. 2002 Nov;25(11):1467-71. doi: 10.1248/bpb.25.1467.
11. Long LH, Halliwell B: Coffee drinking increases levels of urinary hydrogen peroxide detected in healthy human volunteers. Free Radic Res. 2000 May;32(5):463-7.
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