4-Tert-Octylcatechol

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Properties Simple | Detailed

Formula C14H22O2
IUPAC Name 4-(1,1,3,3-tetramethylbutyl)benzene-1,2-diol
Molecular Mass 222.323 g·mol−1
Heat of Formation -448.8 ± 16.7 kJ·mol−1
Dipole Moment 1.97 ± 1.08 D
Volume 301.32 Å 3
Surface Area 255.52 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 3.13 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(1,1,3,3-tetramethylbutyl)pyrocatechol
  • 4-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol
CAS Number(s)
  • 1139-46-4
InChIKey BOTKTAZUSYVSFF-UHFFFAOYSA-N
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Elements H C O