Avobenzone (data page)

The complete data for Avobenzone

General information

Chemical formula: C20H22O3 
Molar mass: 310.387 a g·mol−1
Systematic name:
1-(4-methoxyphenyl)-3-(4-tert-butylphenyl)propane-1,3-dione a
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 a
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 a
 ATC: N/A CAS: [70356-09-1] DrugBank: N/A EINECS: 274-581-6 a PubChem: 51040 a
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/AMain hazards:
- N/A
NFPA 704
Flammability (red): no hazard codeHealth (blue): no hazard codeReactivity (yellow): no hazard codeSpecial hazards (white): no code
Flash point
- N/A
 R/S statement
R: N/A
S: N/A
RTECS number:
N/A
Chemical properties
XLogP: 5.162 apI: pKa: Tautomers: 3 aHydrogen bond: donor - 0 a;  acceptor - 3 a
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
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