2-(2,4-Dichlorobenzyl)-4-(2,4,4-Trimethyl-2-Pentanyl)Phenol

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Properties Simple | Detailed

Formula C21H26Cl2O
IUPAC Name 2-[(2,4-dichlorophenyl)methyl]-4-(1,1,3,3-tetramethylbutyl)phenol
Molecular Mass 365.337 g·mol−1
Heat of Formation -287.2 ± 16.7 kJ·mol−1
Dipole Moment 2.92 ± 1.08 D
Volume 457.96 Å 3
Surface Area 348.64 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • 2-((2,4-dichlorophenyl)methyl)-4-(1,1,3,3-tetramethylbutyl)phenol
  • 2-(2,4-dichlorobenzyl)-4-(1,1,3,3-tetramethylbutyl)phenol
  • 2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
  • alpha-(2,4-dichlorophenyl)-4-(1,1,3,3-tetramethylbutyl)-o-cresol
  • clofoctol
  • octofene
  • phenol, 2-((2,4-dichlorophenyl)methyl)-4-(1,1,3,3-tetramethylbutyl)-
  • phenol, 2-[(2,4-dichlorophenyl)methyl]-4-(1,1,3,3-tetramethylbutyl)-
CAS Number(s)
  • 37693-01-9
InChIKey HQVZOORKDNCGCK-UHFFFAOYSA-N
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Elements H C O Cl