avobenzone

Synonyms: "avobenzone", "parsol 1789", "butyl methoxydibenzoylmethane", "1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione", "4-tert-butyl-4'-methoxy-dibenzoylmethane", "escalol 517", "eusolex 9020", "1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-1,3-propanedione", "4-tert-butyl-4'-methoxydibenzoylmethane".

Source: Avobenzone is the most widely used UVA filter in sunscreen lotion.

Identifiers:

IUPAC Name: 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
CAS Number: 70356-09-1
PubChem ID: 51040
InChiKey: XNEFYCZVKIDDMS-UHFFFAOYSA-N
Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)OC

Structural Properties:

Molecular Formula: C₂₀H₂₂O₃
Molecular Weight: 310.393

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 3
Number of atoms different from hydrogen: 23

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Schreurs RH, Sonneveld E, Jansen JH, Seinen W, van der Burg B. 2005. Interaction of polycyclic musks and UV filters with the estrogen receptor (ER), androgen receptor (AR), and progesterone receptor (PR) in reporter gene bioassays. Toxicol Sci 83(2):264-272. DOI: 10.1093/toxsci/kfi035. URL: https://academic.oup.com/toxsci/article/83/2/264/1713967.