2,2?-Dihydroxy-4-methoxybenzophenone (DHMB)

Synonyms: "2,2-Dihydroxy-4-Methoxybenzophenone"

Source: 2,2?-Dihydroxy-4-methoxybenzophenone is a metabolite of benzophenone-3, which is in cosmetics, personal care products and UV filters.

Identifiers:

IUPAC Name: (6,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-yl)-phenylmethanone
CAS Number: n/a
PubChem ID: 17810455
InChiKey: AQSGIPQBQYCRLQ-UHFFFAOYSA-N
Canonical SMILES: COC1=CC(C(C=C1)C(=O)C2=CC=CC=C2)(O)O

Structural Properties:

Molecular Formula: C₁₄H₁₄O₄
Molecular Weight: 246.26

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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