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Substance Name: 1,2,5,8-Tetrahydroxy anthraquinone
RN: 81-61-8
UNII: 6D43C3LYSG
InChIKey: VBHKTXLEJZIDJF-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C14-H8-O6

Molecular Weight

  • 272.211
 
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Names and Synonyms

Name of Substance

  • 1,2,5,8-Tetrahydroxy anthraquinone

Synonyms

  • 1,2,5,8-Tetrahydroxy-9,10-anthracenedione
  • 1,2,5,8-Tetrahydroxy-9,10-anthraquinone
  • 1,2,5,8-Tetrahydroxyanthracinon
  • 1,2,5,8-Tetrahydroxyanthraquinone
  • 1,4,5,6-Tetrahydroxyanthraquinone
  • 4-08-00-03683 (Beilstein Handbook Reference)
  • Alizarinbordeaux
  • Alizarine Bordeaux
  • Alizarine Bordeaux B
  • BRN 1889617
  • C.I. 58500
  • C.I. Mordant Violet 26
  • CCRIS 5598
  • EINECS 201-366-6
  • Khinalizarin
  • NSC 144046
  • NSC 4896
  • Quinalizarin
  • Quinalizarine
  • UNII-6D43C3LYSG

Systematic Names

  • 1,2,5,8-Tetrahydroxyanthraquinone
  • 9,10-Anthracenedione, 1,2,5,8-tetrahydroxy-
  • Anthraquinone, 1,2,5,8-tetrahydroxy-

Registry Numbers

CAS Registry Number

  • 81-61-8

FDA UNII

  • 6D43C3LYSG

System Generated Number

  • 0000081618

Structure Descriptors

InChI

1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H

InChIKey

VBHKTXLEJZIDJF-UHFFFAOYSA-N

Smiles

c12c(C(c3ccc(c(c3C1=O)O)O)=O)c(ccc2O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 36, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point >275 deg C   EXP
log P (octanol-water) 3.750 (none)   EST
Water Solubility 2.58 mg/L 25 EXP
Vapor Pressure 4.64E-12 mm Hg 25 EST
Henry's Law Constant 7.43E-16 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.82E-11 cm3/molecule-sec 25 EST

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