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CHEBI:143859 - 2,5-di-tert-butylphenol

ChEBI IDCHEBI:143859
ChEBI Name2,5-di-tert-butylphenol
Stars
ASCII Name2,5-di-tert-butylphenol
DefinitionA member of the class of phenols that is phenol substituted by tert-butyl groups at position 2 and 5.
Last Modified4 June 2019
Submittermwilliams
DownloadsMolfile
FormulaC14H22O
Net Charge0
Average Mass206.329
Monoisotopic Mass206.16707
SMILESCC(C)(C)c1ccc(C(C)(C)C)c(O)c1
InChIInChI=1S/C14H22O/c1-13(2,3)10-7-8-11(12(15)9-10)14(4,5)6/h7-9,15H,1-6H3
InChIKeyKDBZVULQVCUNNA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Labisia pumila var. lanceolata (ncbitaxon:410778) leaf (BTO:0000713) PubMed (21829154)
Bos taurus (ncbitaxon:9913) - PubMed (26761505) Isolated from the veal of Holstein bull calves.
Roles Classification
Biological Roles:
mammalian metabolite  Any animal metabolite produced during a metabolic reaction in mammals.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
2,5-di-tert-butylphenol (CHEBI:143859) has role mammalian metabolite (CHEBI:75768)
2,5-di-tert-butylphenol (CHEBI:143859) has role plant metabolite (CHEBI:76924)
2,5-di-tert-butylphenol (CHEBI:143859) is a alkylbenzene (CHEBI:38976)
2,5-di-tert-butylphenol (CHEBI:143859) is a phenols (CHEBI:33853)
IUPAC Name 
2,5-di-tert-butylphenol
Synonym  Source
2,5-bis(1,1-dimethylethyl)phenolChemIDplus
Registry NumbersSources
CAS:5875-45-6ChemIDplus
CAS:5875-45-6NIST Chemistry WebBook
Citations