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4-tert-Octylphenol

CAS Registry Number®

140-66-9

CAS Name

4-tert-Octylphenol

Molecular Formula

C14H22O

Molecular Mass

206.32

Cite this Page

4-tert-Octylphenol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=140-66-9 (retrieved 2024-12-25) (CAS RN: 140-66-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    158 °C @ Press: 20 Torr

  • Melting Point (1)

    84-85 °C

  • Density (1)

    0.89 g/cm³ @ Temp: 90 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3

InChIKey

InChIKey=ISAVYTVYFVQUDY-UHFFFAOYSA-N

SMILES

C(CC(C)(C)C)(C)(C)C1=CC=C(O)C=C1

Canonical SMILES

OC1=CC=C(C=C1)C(C)(C)CC(C)(C)C

Other Names for this Substance

  • Phenol, 4-(1,1,3,3-tetramethylbutyl)-
  • Phenol, p-(1,1,3,3-tetramethylbutyl)-
  • 4-(1,1,3,3-Tetramethylbutyl)phenol
  • p-tert-Octylphenol
  • 4-tert-Octylphenol

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Deleted or Replaced CAS Registry Numbers

124765-79-3, 37769-53-2, 85771-77-3

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.