Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Xanthoxyline
RN: 90-24-4
UNII: Z8RSY5TZPA
InChIKey: FBUBVLUPUDBFME-UHFFFAOYSA-N

Note

  • Isolated from Sebastiania schottiana (Euphorbiaceae); also present in Xanthoxylum, Rutaceae, Artemisia and other plants.

Molecular Formula

  • C10-H12-O4

Molecular Weight

  • 196.201
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Xanthoxyline

Synonyms

  • 2,4-Di-O-methylphloroacetophenone
  • 4,6-Dimethoxy-2-hydroxyacetophenone
  • AI3-26010
  • Brevifolin (VAN)
  • Brevifolin (Zanthoxylum)
  • EINECS 201-978-3
  • NSC 17392
  • Phloracetophenone dimethyl ether
  • Phloroacetophenone 2,4-dimethyl ether
  • UNII-Z8RSY5TZPA
  • Xanthoxylin

Systematic Names

  • 1-(2-Hydroxy-4,6-dimethoxyphenyl)ethan-1-one
  • Acetophenone, 2'-hydroxy-4',6'-dimethoxy- (8CI)
  • Ethanone, 1-(2-hydroxy-4,6-dimethoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 90-24-4

FDA UNII

  • Z8RSY5TZPA

System Generated Number

  • 0000090244

Structure Descriptors

InChI

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

InChIKey

FBUBVLUPUDBFME-UHFFFAOYSA-N

Smiles

c1(c(cc(cc1OC)OC)O)C(=O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 82 deg C   EXP
log P (octanol-water) 2.130 (none)   EST
Atmospheric OH Rate Constant 2.02E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.