1-(3,4-Dimethoxyphenyl)-1-butanone

CAS Registry Number®

54419-21-5
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CAS Name

1-(3,4-Dimethoxyphenyl)-1-butanone

Molecular Formula

C12H16O3

Molecular Mass

208.25

Cite this Page

1-(3,4-Dimethoxyphenyl)-1-butanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54419-21-5 (retrieved 2024-05-16) (CAS RN: 54419-21-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    175 °C @ Press: 9 Torr

  • Melting Point (1)

    52-53 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H16O3/c1-4-5-10(13)9-6-7-11(14-2)12(8-9)15-3/h6-8H,4-5H2,1-3H3

InChIKey

InChIKey=VMDUYDPNEDZGBN-UHFFFAOYSA-N

SMILES

C(CCC)(=O)C1=CC(OC)=C(OC)C=C1

Canonical SMILES

O=C(C1=CC=C(OC)C(OC)=C1)CCC

Other Names for this Substance

  • 1-Butanone, 1-(3,4-dimethoxyphenyl)-
  • Butyrophenone, 3′,4′-dimethoxy-
  • 1-(3,4-Dimethoxyphenyl)-1-butanone
  • NSC 158350
  • 1-(3,4-Dimethoxyphenyl)butan-1-one

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