O-Tert-Octylphenol

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Properties Simple | Detailed

Formula C14H22O
IUPAC Name 2-(1,1,3,3-tetramethylbutyl)phenol
Molecular Mass 206.324 g·mol−1
Heat of Formation -265.3 ± 16.7 kJ·mol−1
Dipole Moment 0.78 ± 1.08 D
Volume 287.68 Å 3
Surface Area 242.03 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 3.21 ± eV
Point Group Symmetry C1
Synonyms
  • (1,1,3,3-tetramethylbutyl)phenol
  • 2-(2,4,4-trimethylpentan-2-yl)phenol
  • caswell no. 613d
  • epa pesticide chemical code 064118
  • o-(1,1,3,3-tetramethylbutyl)phenol
  • octyl phenol
  • octylphenol
  • phenol, (1,1,3,3-tetramethylbutyl)-
  • phenol, 2-(1,1,3,3-tetramethylbutyl)-
  • phenol, octyl-
  • tert-octylphenol
  • usaf rh-6
CAS Number(s)
  • 1322-69-6
  • 209859-96-1
  • 27193-28-8
  • 29932-96-5
  • 30105-54-5
  • 62744-41-6
  • 3884-95-5
InChIKey XSXWOBXNYNULJG-UHFFFAOYSA-N
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