Avobenzone (data page)

The complete data for Avobenzone
200px	General information 200px Chemical formula: C20H22O3  Molar mass: 310.387 g·mol−1 Systematic name: 1-(4-methoxyphenyl)-3-(4-tert-butylphenyl)propane-1,3-dione Synonyms: 1-(4-(1,1-dimethylethyl)phenyl)-3-(4-methoxyphenyl)-1,3-propanedione 1-(4-(1,1-dimethylethyl)phenyl)-3-(4-methoxyphenyl)propane-1,3-dione 4-tert-butyl-4'-methoxydibenzoylmethane Butyl methoxydibenzoylmethane Parsol 1789 Photoplex
Database data
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)OC InChI=1/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  ATC: N/A  CAS: [70356-09-1]  DrugBank: N/A  EINECS: 274-581-6  PubChem: 51040
Physical properties
Structure Crystal data Spectral data UV-Vis IR NMR MS Phase behavior Solid properties ρsolid: 1.037 g.cm−3 Tm: 80 - 85 °C Liquid properties Gas properties
Hazard properties
MSDS N/A Main hazards: - N/A NFPA 704 Flash point - N/A R/S statement R: N/A S: N/A RTECS number: N/A
Chemical properties
XLogP: 5.162 pI: pKa: Tautomers: 3 Hydrogen bond: donor - 0 ;  acceptor - 3
Pharmacological properties
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)

References

1. ^a CID 51040 from PubChem