bisphenol A
Synonyms: 2,2-bis(4-hydroxyphenyl)propane, "4,4'-isopropylidenediphenol", "diano", "diphenylolpropane", "4,4'-bisphenol A", "bisphenol", "DIAN", "p,p'-isopropylidenebisphenol","bpa"
Source: bisphenol A is a building-block chemical used to make polycarbonate plastic as well as epoxy resins used as can linings.It is used in so many common products that we use every day such as baby bottles, reusable water bottles, microwaveable containers, and the protective coating inside most food and beverage cans.
Identifiers:
IUPAC Name: 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CAS Number: 80-05-7
PubChem ID: 6623
InChiKey: IISBACLAFKSPIT-UHFFFAOYSA-N
Canonical SMILES: CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
Structural Properties:
Molecular Formula: C15H16O2
Molecular Weight: 228.29
Pharmacophore Features:
Number of bond donors: 2
Number of bond acceptors: 2
Number of atoms different from hydrogen: 17
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Evidence Supporting This Chemical as an Emerging Contaminant
de Oliveira, L. K., Moura, A. L., Barbosa, V., Parreira, R. L., Banegas, R. S., Caramori, G. F., ... & Molina, E. F. (2017). Removal of the emerging contaminant bisphenol A by an ureasil?PEO hybrid membrane: experimental study and molecular dynamic simulation.?Environmental Science and Pollution Research,?24(22), 18421-18433.
Jung, K. W., Lee, S. Y., Lee, Y. J., & Choi, J. W. (2019). Ultrasound-assisted heterogeneous Fenton-like process for bisphenol A removal at neutral pH using hierarchically structured manganese dioxide/biochar nanocomposites as catalysts. Ultrasonics sonochemistry, 57, 22-28.
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