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Substance Name: Gallacetophenone
RN: 528-21-2
UNII: C70E921C4P
InChIKey: XIROXSOOOAZHLL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H8-O4

Molecular Weight

  • 168.147
 
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Names and Synonyms

Name of Substance

  • Gallacetophenone

Synonyms

  • 1-(2,3,4-Trihydroxyphenyl)ethanone
  • 2,3,4-Trihydroxyacetophenone
  • 2,3,4-Trihydroxyacetophenone oxime
  • Alizarin Yellow C
  • Alizarine Yellow C
  • C.I. 57000
  • EINECS 208-430-2
  • Gallacetophenone
  • Galloacetophenone
  • NSC 66553
  • UNII-C70E921C4P

Systematic Names

  • 2',3',4'-Trihydroxyacetophenone
  • Acetophenone, 2',3',4'-trihydroxy-
  • Ethanone, 1-(2,3,4-trihydroxyphenyl)-

Registry Numbers

CAS Registry Number

  • 528-21-2

FDA UNII

  • C70E921C4P

System Generated Number

  • 0000528212

Structure Descriptors

InChI

1S/C8H8O4/c1-4(9)5-2-3-6(10)8(12)7(5)11/h2-3,10-12H,1H3

InChIKey

XIROXSOOOAZHLL-UHFFFAOYSA-N

Smiles

c1(c(c(c(O)cc1)O)O)C(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 650mg/kg (650mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Journal of Medicinal Chemistry. Vol. 7, Pg. 178, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 173 deg C   EXP
log P (octanol-water) 1.430 (none)   EST
Water Solubility 1600 mg/L   EXP
Atmospheric OH Rate Constant 2.01E-10 cm3/molecule-sec 25 EST

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