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

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ChEBI Name	*2,5-di-tert-butylphenol*

ChEBI ID	CHEBI:143859

ChEBI ASCII Name	2,5-di-tert-butylphenol

Definition	A member of the class of phenols that is phenol substituted by tert-butyl groups at position 2 and 5.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Mark Williams

Supplier Information

Download	Molfile XML SDF

Formula

C14H22O

Net Charge

Average Mass

206.329

Monoisotopic Mass

206.16707

InChI

InChI=1S/C14H22O/c1-13(2,3)10-7-8-11(12(15)9-10)14(4,5)6/h7-9,15H,1-6H3

InChIKey

KDBZVULQVCUNNA-UHFFFAOYSA-N

SMILES

C1=C(C(=CC=C1C(C)(C)C)C(C)(C)C)O

Metabolite of Species	Details
Labisia pumila var. lanceolata (NCBI:txid410778)	Found in leaf (BTO:0000713). See: PubMed
Bos taurus (NCBI:txid9913)	Isolated from the veal of Holstein bull calves. See: PubMed

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. mammalian metabolite Any animal metabolite produced during a metabolic reaction in mammals.

ChEBI Ontology
Outgoing	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)phenol	ChemIDplus

Last Modified

04 June 2019