Avobenzone

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Properties Simple | Detailed

Formula C20H22O3
IUPAC Name 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
Molecular Mass 310.387 g·mol−1
Heat of Formation -372.4 ± 16.7 kJ·mol−1
Dipole Moment 2.67 ± 1.08 D
Volume 394.11 Å 3
Surface Area 352.17 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-propanedione, 1-(4-(1,1-dimethylethyl)phenyl)-3-(4-methoxyphenyl)-
  • 1-(4-(1,1-dimethylethyl)phenyl)-3-(4-methoxyphenyl)-1,3-propanedi- one
  • 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
  • 1-(p-tert-butylphenyl)-3-(p-methoxyphenyl)-1,3-propanedione
  • 4-tert-butyl-4'-methoxydibenzoylmethane
  • avobenzone (usp)
  • butyl methoxydibenzoylmethane
  • d03015
  • parsol 1789
CAS Number(s)
  • 112725-59-4
  • 70356-09-1
  • 87075-14-7
InChIKey XNEFYCZVKIDDMS-UHFFFAOYSA-N
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