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Substance Name: Xanthone
RN: 90-47-1
UNII: 9749WEV0CA
InChIKey: JNELGWHKGNBSMD-UHFFFAOYSA-N

Note

  • A group of XANTHENES that contain a 9-keto OXYGEN.

Molecular Formula

  • C13-H8-O2

Molecular Weight

  • 196.2042
 
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Names and Synonyms

Name of Substance

  • Xanthone

Synonyms

  • 9-Oxoxanthene
  • 9-Xanthenone
  • 9-Xanthone
  • 9H-Xanthene, 9-oxo-
  • AI3-00077
  • Benzophenone oxide
  • Caswell No. 905
  • Dibenzo-gamma-pyrone
  • Diphenylene ketone oxide
  • E 6
  • EINECS 201-997-7
  • EPA Pesticide Chemical Code 086503
  • Genicide
  • NSC 14978
  • UNII-9749WEV0CA
  • Xanthene, 9-oxo-
  • Xanthenone
  • Xanthone

Systematic Names

  • 9H-Xanthen-9-one
  • Xanthen-9-one

Registry Numbers

CAS Registry Number

  • 90-47-1

FDA UNII

  • 9749WEV0CA

System Generated Number

  • 0000090471

Structure Descriptors

InChI

1S/C13H8O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H

InChIKey

JNELGWHKGNBSMD-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c(=O)c3ccccc3o2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01611,
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 25, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 174 deg C   EXP
Boiling Point 351 deg C   EXP
log P (octanol-water) 3.39 (none)   EXP
Water Solubility 4.520 mg/L 25 EST
Vapor Pressure 5.85E-05 mm Hg 25 EST
Henry's Law Constant 1.93E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.97E-12 cm3/molecule-sec 25 EST

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