Avobenzone

Avobenzone is a dibenzoylmethane compound commonly found in sunscreens and can photoisomerize after exposure to near-ultraviolet light. At equilibrium, Avobenzone exists as a chelated enol characterized by a strong intramolecular hydrogen bond. The photochemistry of Avobenzone includes keto-enol tautomerization, cis-trans isomerization, rotation about the single bond and α bond cleavages of carbonyl groups. Findings suggest that torsion around the double C2-C3 bond of photoexcited chelated enol leads to internal conversion to the ground state and formation of rotamer E. In addition, opening of the chelated hydrogen ring by torsion of the hydroxyl group creates non-chelated enol. The possible mechanisms of rotamer Z formation are discussed.

Product information

CAS Number: 70356-09-1

Molecular Weight: 310.39

Formula: C20H22O3

Chemical Name: 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione

Smiles: COC1C=CC(=CC=1)C(=O)CC(=O)C1C=CC(=CC=1)C(C)(C)C

InChiKey: XNEFYCZVKIDDMS-UHFFFAOYSA-N

InChi: InChI=1S/C20H22O3/c1-20(2,3)16-9-5-14(6-10-16)18(21)13-19(22)15-7-11-17(23-4)12-8-15/h5-12H,13H2,1-4H3

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥360 days if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

Products are for research use only. Not for human use.