1-(2,3,4,5,6-Pentamethylphenyl)ethanone

CAS Registry Number®

2040-01-9

CAS Name

1-(2,3,4,5,6-Pentamethylphenyl)ethanone

Molecular Formula

C13H18O

Molecular Mass

190.28

Cite this Page

1-(2,3,4,5,6-Pentamethylphenyl)ethanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2040-01-9 (retrieved 2024-11-29) (CAS RN: 2040-01-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    144-145 °C @ Press: 8 Torr

  • Melting Point (2)

    110 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H18O/c1-7-8(2)10(4)13(12(6)14)11(5)9(7)3/h1-6H3

InChIKey

InChIKey=CTTYWXDVWGKHKJ-UHFFFAOYSA-N

SMILES

C(C)(=O)C1=C(C)C(C)=C(C)C(C)=C1C

Canonical SMILES

O=C(C=1C(=C(C(=C(C1C)C)C)C)C)C

Other Names for this Substance

  • Ethanone, 1-(2,3,4,5,6-pentamethylphenyl)-
  • Acetophenone, 2′,3′,4′,5′,6′-pentamethyl-
  • Ethanone, 1-(pentamethylphenyl)-
  • Acetophenone, 2,3,4,5,6-pentamethyl-
  • 1-(2,3,4,5,6-Pentamethylphenyl)ethanone

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