EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:64090 - tert-butyl hydroperoxide

ChEBI IDCHEBI:64090
ChEBI Nametert-butyl hydroperoxide
Stars
ASCII Nametert-butyl hydroperoxide
DefinitionAn alkyl hydroperoxide in which the alkyl group is tert-butyl. It is widely used in a variety of oxidation processes.
Last Modified2 April 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC4H10O2
Net Charge0
Average Mass90.122
Monoisotopic Mass90.06808
SMILESCC(C)(C)OO
InChIInChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3
InChIKeyCIHOLLKRGTVIJN-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
oxidising agent  A substance that removes electrons from another reactant in a redox reaction.
Biological Role:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
ChEBI Ontology
Outgoing Relation(s)
tert-butyl hydroperoxide (CHEBI:64090) has role antibacterial agent (CHEBI:33282)
tert-butyl hydroperoxide (CHEBI:64090) has role oxidising agent (CHEBI:63248)
tert-butyl hydroperoxide (CHEBI:64090) is a alkyl hydroperoxide (CHEBI:61050)
IUPAC Name 
tert-butyl hydroperoxide
Synonyms  Source
1,1-Dimethylethyl hydroperoxideChemIDplus
2-Hydroperoxy-2-methylpropaneChemIDplus
Dimethylethyl hydroperoxideNIST Chemistry WebBook
Hydroperoxyde de butyle tertiaireNIST Chemistry WebBook
TBHPChEBI
t-butyl hydroperoxideChEBI
UniProt Name  Source
tert-butyl hydroperoxideUniProt
Manual XrefsDatabases
Tert-Butyl_hydroperoxideWikipedia
Registry NumbersSources
Reaxys:1098280Reaxys
CAS:75-91-2NIST Chemistry WebBook
CAS:75-91-2ChemIDplus
Citations