Netica Solution

The complete data for Avobenzone

General information

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:
 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 [...]