CHEBI:89188 - 2,4-di-tert-butylphenol

ChEBI IDCHEBI:89188
ChEBI Name2,4-di-tert-butylphenol
Stars
ASCII Name2,4-di-tert-butylphenol
DefinitionA member of the class of phenols carrying two tert-butyl substituents at positions 2 and 4.
Last Modified11 November 2016
DownloadsMolfile
FormulaC14H22O
Net Charge0
Average Mass206.329
Monoisotopic Mass206.16707
SMILESCC(C)(C)c1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3
InChIKeyICKWICRCANNIBI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ipomoea batatas (ncbitaxon:4120) - PubMed (24074359)
Scolopendra subspinipes (ncbitaxon:55038) - PubMed (16595909)
Pseudomonas monteilii (ncbitaxon:76759) - PubMed (24934765) Strain: PsF84
Bacillus subtilis (ncbitaxon:1423) - PubMed (27524650)
Streptomyces mutabilis (ncbitaxon:67332) - PubMed (27107984)
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Roles:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
2,4-di-tert-butylphenol (CHEBI:89188) has role antioxidant (CHEBI:22586)
2,4-di-tert-butylphenol (CHEBI:89188) has role bacterial metabolite (CHEBI:76969)
2,4-di-tert-butylphenol (CHEBI:89188) has role marine metabolite (CHEBI:76507)
2,4-di-tert-butylphenol (CHEBI:89188) is a alkylbenzene (CHEBI:38976)
2,4-di-tert-butylphenol (CHEBI:89188) is a phenols (CHEBI:33853)
Synonyms  Source
2,4-Bis(1,1'-dimethylethyl)phenolHMDB
2,4-Tert-butylphenolHMDB
2,4-Di-t-ButylphenolHMDB
2,4-Bis(1,1-dimethylethyl)phenolNIST Chemistry WebBook
2,4-Bis(tert-butyl)phenolHMDB
1-Hydroxy-2,4-di-tert-butylbenzeneHMDB
Manual XrefsDatabases
HMDB0013816HMDB
Registry NumbersSources
Reaxys:1910383Reaxys
CAS:96-76-4ChemIDplus
CAS:96-76-4NIST Chemistry WebBook
Citations