Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Purpurin
RN: 81-54-9
UNII: L1GT81LS6N
InChIKey: BBNQQADTFFCFGB-UHFFFAOYSA-N

Note

  • A natural pigment from roots of madder root (Rubia tinctorum); other PURPURIN terms are available.

Molecular Formula

  • C14-H8-O5

Molecular Weight

  • 256.212
 

Classification Codes

  • Coloring Agents
  • Mutation Data
  • Natural Product
  • Skin / Eye Irritant
  • Tumor Data
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Purpurin

Synonyms

  • 1,2,4-Trihydroxy-9,10-anthracenedione
  • 1,2,4-Trihydroxy-9,10-anthraquinone
  • 1,2,4-Trihydroxyanthrachinon
  • 1,2,4-Trihydroxyanthrachinon [Czech]
  • 1,2,4-Trihydroxyanthraquinone
  • 4-08-00-03568 (Beilstein Handbook Reference)
  • 9,10-Anthracenedione, 1,2,4-trihydroxy-
  • BRN 1887127
  • C.I. 1037
  • C.I. 58205
  • C.I. 75410
  • CCRIS 3527
  • EINECS 201-359-8
  • Hydroxylizaric acid
  • NSC 10447
  • Purpurin
  • Purpurin, madder root
  • Purpurine
  • Smoke Brown G
  • UNII-L1GT81LS6N
  • Verantin

Systematic Names

  • 1,2,4-Trihydroxyanthraquinone
  • 9,10-Anthracenedione, 1,2,4-trihydroxy-
  • 9,10-Anthracenedione, 1,2,4-trihydroxy- (9CI)
  • Anthraquinone, 1,2,4-trihydroxy-
  • Purpurin

Registry Numbers

CAS Registry Number

  • 81-54-9

FDA UNII

  • L1GT81LS6N

System Generated Number

  • 0000081549

Structure Descriptors

InChI

1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H

InChIKey

BBNQQADTFFCFGB-UHFFFAOYSA-N

Smiles

c12c(C(c3ccccc3C1=O)=O)c(cc(c2O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 321, 1952.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 259 deg C   EXP
log P (octanol-water) 3.460 (none)   EST
Water Solubility 6.4 mg/L 25 EXP
Vapor Pressure 7.52E-11 mm Hg 25 EST
Henry's Law Constant 5.68E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.52E-10 cm3/molecule-sec 25 EST

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