Preferred Name |
bisphenol A |
|
Synonyms |
bisphenol A Bisphenol A 4,4'-(propane-2,2-diyl)diphenol 2, 2-Bis(4-hydroxyphenyl)propane bisphenol-A 4,4'-(1-Methylethane-1,1-diyl)diphenol 4,4'-Isopropylidenediphenol 2,2-Di(4-hydroxyphenyl)propane Dianin's compound 4,4'-Bisphenol A 2,2-Bis(4'-hydroxyphenyl)propane 4,4'-(Propane-2,2-diyl)diphenol 2,2-Di(4-phenylol)propane 4,4'-(1-Methylethylidene)bisphenol 2,2-Bis(p-hydroxyphenyl)propane 2,2-Bis(4-Hydroxyphenyl)propane BPA |
|
Definitions |
A bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_33216 |
|
charge |
0 |
|
database_cross_reference |
PMID:25637671 LINCS:LSM-37080 PMID:25569640 CAS:80-05-7 PMID:25663485 PMID:25524584 PMID:25148994 DrugBank:DB06973 Reaxys:1107700 PMID:16904728 UM-BBD_compID:c0764 PMID:25042713 KEGG:C13624 PMID:24471646 PMID:11361040 HMDB:HMDB0032133 PMID:12860292 PDBeChem:2OH Wikipedia:Bisphenol_A PMID:15936980 PMID:10593191 |
|
definition |
A bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups. |
|
formula |
C15H16O2 |
|
has exact synonym |
bisphenol A Bisphenol A 4,4'-(propane-2,2-diyl)diphenol |
|
has related synonym |
2, 2-Bis(4-hydroxyphenyl)propane bisphenol-A 4,4'-(1-Methylethane-1,1-diyl)diphenol 4,4'-Isopropylidenediphenol 2,2-Di(4-hydroxyphenyl)propane Dianin's compound 4,4'-Bisphenol A 2,2-Bis(4'-hydroxyphenyl)propane 4,4'-(Propane-2,2-diyl)diphenol 2,2-Di(4-phenylol)propane 4,4'-(1-Methylethylidene)bisphenol 2,2-Bis(p-hydroxyphenyl)propane 2,2-Bis(4-Hydroxyphenyl)propane BPA |
|
has role |
http://purl.obolibrary.org/obo/CHEBI_35703 |
|
has_alternative_id |
CHEBI:31295 CHEBI:47094 CHEBI:22900 |
|
has_obo_namespace |
chebi_ontology |
|
id |
CHEBI:33216 |
|
in_subset | ||
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 |
|
label |
bisphenol A |
|
mass |
228.291 |
|
monoisotopicmass |
228.11503 |
|
notation |
CHEBI:33216 |
|
prefLabel |
bisphenol A |
|
smiles |
CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 |
|
subClassOf |