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Details

Stereochemistry ACHIRAL
Molecular Formula C16H18O2
Molecular Weight 242.3129
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BISPHENOL B

SMILES

CCC(C)(C1=CC=C(O)C=C1)C2=CC=C(O)C=C2

InChI

InChIKey=HTVITOHKHWFJKO-UHFFFAOYSA-N
InChI=1S/C16H18O2/c1-3-16(2,12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11,17-18H,3H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C16H18O2
Molecular Weight 242.3129
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Comparison of reporter gene assay and immature rat uterotrophic assay of twenty-three chemicals.
2002 Jan 15
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006 Nov
Biodegradation of bisphenol A and related compounds by Sphingomonas sp. strain BP-7 isolated from seawater.
2007 Jan
Defining estrogenic mechanisms of bisphenol A analogs through high throughput microscopy-based contextual assays.
2014 Jun 19
Are structural analogues to bisphenol a safe alternatives?
2014 May
Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and α-fetoprotein.
2015 Feb
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:39:17 GMT 2023
Edited
by admin
on Fri Dec 15 17:39:17 GMT 2023
Record UNII
1RC731TJJA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BISPHENOL B
MI  
Common Name English
4,4'-(1-METHYLPROPYLIDENE)BISPHENOL
Systematic Name English
BISPHENOL B [MI]
Common Name English
2,2-BIS(4-HYDROXYPHENYL)BUTANE
Systematic Name English
P,P'-SEC-BUTYLIDENEDIPHENOL
Common Name English
Code System Code Type Description
PUBCHEM
66166
Created by admin on Fri Dec 15 17:39:17 GMT 2023 , Edited by admin on Fri Dec 15 17:39:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID4022442
Created by admin on Fri Dec 15 17:39:17 GMT 2023 , Edited by admin on Fri Dec 15 17:39:17 GMT 2023
PRIMARY
MESH
C492482
Created by admin on Fri Dec 15 17:39:17 GMT 2023 , Edited by admin on Fri Dec 15 17:39:17 GMT 2023
PRIMARY
FDA UNII
1RC731TJJA
Created by admin on Fri Dec 15 17:39:17 GMT 2023 , Edited by admin on Fri Dec 15 17:39:17 GMT 2023
PRIMARY
ECHA (EC/EINECS)
201-025-1
Created by admin on Fri Dec 15 17:39:17 GMT 2023 , Edited by admin on Fri Dec 15 17:39:17 GMT 2023
PRIMARY
HSDB
8086
Created by admin on Fri Dec 15 17:39:17 GMT 2023 , Edited by admin on Fri Dec 15 17:39:17 GMT 2023
PRIMARY
MERCK INDEX
m2569
Created by admin on Fri Dec 15 17:39:17 GMT 2023 , Edited by admin on Fri Dec 15 17:39:17 GMT 2023
PRIMARY Merck Index
CAS
77-40-7
Created by admin on Fri Dec 15 17:39:17 GMT 2023 , Edited by admin on Fri Dec 15 17:39:17 GMT 2023
PRIMARY