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CHEBI:131607 - 2-phenylpropan-2-ol

ChEBI IDCHEBI:131607
ChEBI Name2-phenylpropan-2-ol
Stars
DefinitionA tertiary alcohol that is isopropanol in which the hydrogen attached to the carbon bearing the hydroxy group has been replaced by a phenyl group.
Last Modified2 April 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC9H12O
Net Charge0
Average Mass136.194
Monoisotopic Mass136.08882
SMILESCC(C)(O)c1ccccc1
InChIInChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3
InChIKeyBDCFWIDZNLCTMF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mycoplasma genitalium (ncbitaxon:2097) - PubMed (22817898)
Roles Classification
Biological Roles:
Mycoplasma genitalium metabolite  Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium.
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
2-phenylpropan-2-ol (CHEBI:131607) has parent hydride cumene (CHEBI:34656)
2-phenylpropan-2-ol (CHEBI:131607) has role Mycoplasma genitalium metabolite (CHEBI:131604)
2-phenylpropan-2-ol (CHEBI:131607) has role human xenobiotic metabolite (CHEBI:76967)
2-phenylpropan-2-ol (CHEBI:131607) is a benzyl alcohols (CHEBI:22743)
2-phenylpropan-2-ol (CHEBI:131607) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
2-phenylpropan-2-ol
Synonyms  Source
α,α-dimethylbenzyl aldoholChemIDplus
α,α-dimethylbenzenemethanolChemIDplus
2-phenylisopropanolChemIDplus
2-phenyl-2-propanolChemIDplus
dimethylphenylcarbinolNIST Chemistry WebBook
dimethylphenylmethanolNIST Chemistry WebBook
UniProt Name  Source
2-phenylpropan-2-olUniProt
Registry NumbersSources
Reaxys:1905012Reaxys
CAS:617-94-7ChemIDplus
Citations