Bisphenol A
fo-5df3ca997736c9a6
Identity
- Type
- Neutral molecule
- CAS
- 80-05-7
- EC
- 201-245-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 59 across every transformer
Structure
What it is used for
1
Roles, not types. A substance bears as many as apply — sulfluramid is an
insecticide and an acaricide — and each is a class ChEBI curates, asserted
with ChEBI’s own has role. The narrow ones publish the broad
ones alongside them, so a substance filed as a herbicide is a pesticide
here too. See agricultural
chemicals for what the axis is and which classes are published.
| Role | Definition | Evidence |
|---|---|---|
| environmental contaminant CHEBI:78298 | Any minor or unwanted substance introduced into the environment that can have undesired effects. | ChEBI |
Alternative labels
42- (4,4′-Dihydroxydiphenyl)dimethylmethane
- 2, 2-Bis(4-hydroxyphenyl)propane
- 2,2-Bis(4'-hydroxyphenyl)propane
- 2,2-Bis(4-Hydroxyphenyl)propane
- 2,2-Bis(p-hydroxyphenyl)propane
- 2,2-Di(4-hydroxyphenyl)propane
- 2,2-Di(4-phenylol)propane
- 2,2′-Bis(4-hydroxyphenyl)propane
- 4,4'-(1-Methylethane-1,1-diyl)diphenol
- 4,4'-(1-Methylethylidene)bisphenol
- 4,4'-(Propane-2,2-diyl)diphenol
- 4,4'-Bisphenol A
- 4,4'-Isopropylidenediphenol
- 4,4′-(1-Methylethylidene)bis[phenol]
- 4,4′-(Propane-2,2-diyl)diphenol
- 4,4′-Isopropylidenebis[phenol]
- 4,4′-Isopropylidenediphenol
- 4,4′-Methylethylidenebisphenol
- Bis(4-hydroxyphenyl)dimethylmethane
- Bis(p-hydroxyphenyl)propane
- bisphenol-A
- BPA
- BPA-M
- Dian
- Dianin's compound
- Diano
- Diphenylolpropane
- Hidorin F 285
- Hidorin F 568
- Ipognox 88
- Isopropylidenebis(4-hydroxybenzene)
- Nupole BPE-60
- p,p′-Bisphenol A
- p,p′-Dihydroxydiphenylpropane
- p,p′-Isopropylidenebisphenol
- p,p′-Isopropylidenediphenol
- Parabis
- Parabis A
- Phenol, 4,4′-(1-methylethylidene)bis-
- Phenol, 4,4′-isopropylidenedi-
- Rikabanol
- β,β′-Bis(p-hydroxyphenyl)propane
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | IISBACLAFKSPIT-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | 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 |
| IUPAC name chemrof:IUPAC_name | Bisphenol A |
| Molecular formula chemrof:molecular_formula | C15H16O2 |
| Molecular mass chemrof:molecular_mass | 228.291 |
| Monoisotopic mass chemrof:monoisotopic_mass | 228.11503 |
| SMILES string chemrof:smiles_string | CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 |
Known URLs
41Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=27100-33-0 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=80-05-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33216 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.001.133 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0634 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7020182 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB06973 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB06973 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=1767 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=17959 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL418971 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/MLT3645I99 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0032133 | enrich_references.chebi_xrefs |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2907.23.00.00 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.531I | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C13624 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C13624 | enrich_references.pubchem_identifier_url |
| lincs.smallmolecule | lincs.smallmolecule:LSM-37080 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45282 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C152071 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:2OH | enrich_references.chebi_xrefs |
| pharos.nih.gov | https://pharos.nih.gov/ligands/YNFQWZSHU1AQ | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL418971 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6623 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/10593191 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11361040 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12860292 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15936980 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16904728 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24471646 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25042713 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25148994 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25524584 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25569640 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25637671 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25663485 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1107700 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1433347 | enrich_references.pubchem_identifier_url |
| umbbd.compound | umbbd.compound:c0764 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q271980 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Bisphenol_A | enrich_references.chebi_xrefs |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| e2fb2bc1-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-8edf-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| d70d64f4-6bd8-4b57-a20d-3d1a03fe72f7 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-8ede-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-8ee0-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-8edd-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-8edb-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-8ee4-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-8edc-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-8ee2-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4d9a8790-3ddd-11dd-92e8-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 4d9a8790-3ddd-11dd-8ee1-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 211d16fe9de935a99bb3a14f52d567529a23eb0c | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| 4d9a8790-3ddd-11dd-8ee3-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (59 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-5df3ca997736c9a6",
"prefLabel": [
{
"@value": "Bisphenol A",
"@language": "en",
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}
}
],
"altLabel": [
{
"@value": "(4,4′-Dihydroxydiphenyl)dimethylmethane",
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],
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},
{
"@value": "2, 2-Bis(4-hydroxyphenyl)propane",
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},
{
"@value": "2,2-Bis(4'-hydroxyphenyl)propane",
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{
"@value": "2,2-Bis(4-Hydroxyphenyl)propane",
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}
},
{
"@value": "2,2-Bis(p-hydroxyphenyl)propane",
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}
},
{
"@value": "2,2-Di(4-hydroxyphenyl)propane",
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}
},
{
"@value": "2,2-Di(4-phenylol)propane",
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},
{
"@value": "2,2′-Bis(4-hydroxyphenyl)propane",
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],
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}
},
{
"@value": "4,4'-(1-Methylethane-1,1-diyl)diphenol",
"@language": "en",
"@lang": "en",
"provenance": {
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}
},
{
"@value": "4,4'-(1-Methylethylidene)bisphenol",
"@language": "en",
"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "4,4'-(Propane-2,2-diyl)diphenol",
"@language": "en",
"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "4,4'-Bisphenol A",
"@language": "en",
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"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "4,4'-Isopropylidenediphenol",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_33216"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "4,4′-(1-Methylethylidene)bis[phenol]",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:80-05-7",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4,4′-(Propane-2,2-diyl)diphenol",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4,4′-Isopropylidenebis[phenol]",
"@language": "en",
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"provenance": {
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],
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}
},
{
"@value": "4,4′-Isopropylidenediphenol",
"@language": "en",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "4,4′-Methylethylidenebisphenol",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:80-05-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=80-05-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Bis(4-hydroxyphenyl)dimethylmethane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:80-05-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=80-05-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Bis(p-hydroxyphenyl)propane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=80-05-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "bisphenol-A",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "BPA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "BPA-M",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:80-05-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=80-05-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dian",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:80-05-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=80-05-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Dianin's compound",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_33216"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Diano",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:80-05-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=80-05-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Diphenylolpropane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:80-05-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=80-05-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Hidorin F 285",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:80-05-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=80-05-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Hidorin F 568",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:80-05-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=80-05-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ipognox 88",
"@language": "en",
"@lang": "en",
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}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works