Xanthoxylin

CAS Registry Number®

90-24-4

CAS Name

Xanthoxylin

Molecular Formula

C10H12O4

Molecular Mass

196.20

Cite this Page

Xanthoxylin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=90-24-4 (retrieved 2024-11-22) (CAS RN: 90-24-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    307 °C @ Press: 760 Torr

  • Melting Point (2)

    82 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H12O4/c1-6(11)10-8(12)4-7(13-2)5-9(10)14-3/h4-5,12H,1-3H3

InChIKey

InChIKey=FBUBVLUPUDBFME-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(C=1C(O)=CC(OC)=CC1OC)C

Other Names for this Substance

  • Ethanone, 1-(2-hydroxy-4,6-dimethoxyphenyl)-
  • Acetophenone, 2′-hydroxy-4′,6′-dimethoxy-
  • 1-(2-Hydroxy-4,6-dimethoxyphenyl)ethanone
  • Brevifolin
  • Phloroacetophenone dimethyl ether

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Deleted or Replaced CAS Registry Numbers

1401-86-1, 1401-87-2