bisphenol B

Synonyms: "2,2-Bis(4-hydroxyphenyl)butane", "Bisphenol B", "4,4'-(Butane-2,2-diyl)diphenol", "p,p'-sec-Butylidenediphenol", "UNII-1RC731TJJA", "4,4'-(1-Methylpropylidene)bisphenol", "4,4'-sec-Butylidenediphenol", "AI3-17395", "2,2-Bis(p-hydroxyphenyl)butane", "4,4'-Dihydroxy-2,2-diphenylbutane", "Bis(4-hydroxyphenyl)methylethylmethane", "4-[2-(4-hydroxyphenyl)butan-2-yl]phenol"

Source: bisphenol B is used as an analog of bisphenol A in plastics.

Identifiers:

IUPAC Name: 4-[2-(4-hydroxyphenyl)butan-2-yl]phenol
CAS Number: 77-40-7
PubChem ID: 66166
InChiKey: HTVITOHKHWFJKO-UHFFFAOYSA-N
Canonical SMILES: CCC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O

Structural Properties:

Molecular Formula: C₁₆H₁₈O₂
Molecular Weight: 242.31

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 2
Number of atoms different from hydrogen: 18

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Evidence Supporting This Chemical as an Emerging Contaminant

Hu, J., Liu, W., Liu, H., Wu, L., & Zhang, H. (2018). Preparation and enrichment properties of magnetic dodecyl chitosan/silica composite for emerging bisphenol contaminants. Materials, 11(10), 1881.

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