Avobenzone (data page)

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The complete data for Avobenzone

Image:Hight_setter_449px.gifChemical structure of Avobenzone		 General information

Chemical formula: C20H22O3 
Molar mass: 310.387 [1] g·mol-1
Systematic name:
1-(4-methoxyphenyl)-3-(4-tert-butylphenyl)propane-1,3-dione [1]
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 [1]
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 [1]
 ATC: N/A  CAS: [70356-09-1]  DrugBank: N/A  EINECS: 274-581-6 [1]  PubChem: 51040 [1]
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 [1] pI: ? pKa: ? Tautomers: 3 [1] Hydrogen bond: donor - 0 [1];   acceptor - 3 [1];
Pharmacological properties
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)


[edit] References

  1. a  CID 51040 from PubChem