bisphenol A (CHEBI:33216)

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ChEBI Name	bisphenol A

ChEBI ID	CHEBI:33216

Definition	A bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups.

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

Secondary ChEBI IDs	CHEBI:47094, CHEBI:22900, CHEBI:31295

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Formulae

C15H16O2
C15H16O2

Net Charge

Average Mass

228.291

Monoisotopic Mass

228.11503

InChI

InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3

InChIKey

IISBACLAFKSPIT-UHFFFAOYSA-N

SMILES

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

Roles Classification
Chemical Role(s):	environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects.

Biological Role(s):	xenoestrogen A synthetic or semi-synthetic compound that has oestrogenic activity. xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.

Application(s):	endocrine disruptor Any compound that can disrupt the functions of the endocrine (hormone) system xenoestrogen A synthetic or semi-synthetic compound that has oestrogenic activity.

ChEBI Ontology
Outgoing	bisphenol A (CHEBI:33216) has role endocrine disruptor (CHEBI:138015) bisphenol A (CHEBI:33216) has role environmental contaminant (CHEBI:78298) bisphenol A (CHEBI:33216) has role xenobiotic (CHEBI:35703) bisphenol A (CHEBI:33216) has role xenoestrogen (CHEBI:76988) bisphenol A (CHEBI:33216) is a bisphenol (CHEBI:22901)

Incoming	3,3',5,5'-tetrabromobisphenol A (CHEBI:33217) has functional parent bisphenol A (CHEBI:33216) 4-[2-(4-methoxyphenyl)propan-2-yl]phenol (CHEBI:131346) has functional parent bisphenol A (CHEBI:33216) 5-hydroxybisphenol A (CHEBI:31133) has functional parent bisphenol A (CHEBI:33216) bisphenol A (3-chloro-2-hydroxypropyl) (2,3-dihydroxypropyl) ether (CHEBI:59642) has functional parent bisphenol A (CHEBI:33216) bisphenol A dimethacrylate (CHEBI:34579) has functional parent bisphenol A (CHEBI:33216) bisphenol A sulfate (CHEBI:167305) has functional parent bisphenol A (CHEBI:33216) bisphenol AF (CHEBI:72754) has functional parent bisphenol A (CHEBI:33216)

IUPAC Name

4,4'-(propane-2,2-diyl)diphenol

Synonyms	Sources
2, 2-Bis(4-hydroxyphenyl)propane	HMDB
2,2-Bis(4'-hydroxyphenyl)propane	HMDB
2,2-Bis(4-Hydroxyphenyl)propane	KEGG COMPOUND
2,2-Bis(p-hydroxyphenyl)propane	ChemIDplus
2,2-Di(4-hydroxyphenyl)propane	ChemIDplus
2,2-Di(4-phenylol)propane	ChemIDplus
4,4'-(1-Methylethane-1,1-diyl)diphenol	HMDB
4,4'-(1-Methylethylidene)bisphenol	ChemIDplus
4,4'-(Propane-2,2-diyl)diphenol	HMDB
4,4'-Bisphenol A	ChemIDplus
4,4'-Isopropylidenediphenol	ChemIDplus
Bisphenol A	KEGG COMPOUND
bisphenol A	UniProt
bisphenol-A	ChEBI
BPA	HMDB
Dianin's compound	ChEBI

Last Modified

22 January 2021

General Comment
2014-10-29	Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag