2,4-Di-Tert-Butylphenyl 3,5-Di-Tert-Butyl-4-Hydroxybenzoate

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Properties Simple | Detailed

Formula C29H42O3
IUPAC Name (2,4-ditert-butylphenyl) 3,5-ditert-butyl-4-hydroxy-benzoate
Molecular Mass 438.642 g·mol−1
Heat of Formation -717.0 ± 16.7 kJ·mol−1
Dipole Moment 2.76 ± 1.08 D
Volume 586.55 Å 3
Surface Area 465.16 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • (2,4-ditert-butylphenyl) 3,5-ditert-butyl-4-hydroxybenzoate
  • 3,5-di-tert-butyl-4-hydroxybenzoic acid, (2,4-di-tert-butylphenyl) ester
  • 3,5-ditert-butyl-4-hydroxy-(2,4-ditert-butylphenyl)benzoate
  • 3,5-ditert-butyl-4-hydroxy-benzoic acid (2,4-ditert-butylphenyl) ester
  • 3,5-ditert-butyl-4-hydroxybenzoic acid (2,4-ditert-butylphenyl) ester
  • benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,4-bis(1,1-dimethylethyl)phenyl ester
CAS Number(s)
  • 107528-48-3
  • 114757-48-1
  • 122304-64-7
  • 4221-80-1
  • 68822-27-5
  • 71958-80-0
InChIKey KJYSXRBJOSZLEL-UHFFFAOYSA-N
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