Dioxybenzone

Synonyms: dioxybenzone,"2,2'-DIHYDROXY-4-METHOXYBENZOPHENONE", "Benzophenone-8", "Dioxybenzon", "Advastab 47", "Cyasorb UV 24", "Spectra-sorb UV 24", "(2-Hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)methanone", "Methanone, (2-hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)-", "UF 2", "Cyasorb UV 24 Light Absorber", "Dioxibenzonum", "UV 24"

Source: Dioxybenzone is an organic compound used in sunscreen to block UVB and short-wave UVA (ultraviolet) rays.

Identifiers:

IUPAC Name: (2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CAS Number: 131-53-3
PubChem ID: 8569
InChiKey: MEZZCSHVIGVWFI-UHFFFAOYSA-N
Canonical SMILES: COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2O)O

Structural Properties:

Molecular Formula: C₁₄H₁₂O₄
Molecular Weight: 244,240

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 4
Number of atoms different from hydrogen: 18

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Evidence Supporting This Chemical as an Emerging Contaminant

Banjac, Z., Ginebreda, A., Kuzmanovic, M., Marc?, R., Nadal, M., Riera, J. M., & Barcel?, D. (2015). Emission factor estimation of ca. 160 emerging organic microcontaminants by inverse modeling in a Mediterranean river basin (Llobregat, NE Spain). Science of the Total Environment, 520, 241-252.

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