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Substance Name: Chrysophanic acid
RN: 481-74-3
UNII: N1ST8V8RR2
InChIKey: LQGUBLBATBMXHT-UHFFFAOYSA-N

Classification Codes

  • Mutagens
  • Mutation Data
  • Noxae

Molecular Formula

  • C15-H10-O4

Molecular Weight

  • 254.24
 
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Names and Synonyms

Name of Substance

  • Chrysophanic acid

Synonyms

  • 1,8-Dihydroxy-3-methyl-9,10-anthracenedione
  • 1,8-Dihydroxy-3-methylanthraquinone
  • 3-Methylchrysazin
  • 4,5-Dihydroxy-2-methylanthraquinone
  • C.I. 75400
  • C.I. Natural Yellow 23
  • CCRIS 3525
  • Chrysophanic acid
  • Chrysophanol
  • EINECS 207-572-2
  • NSC 37132
  • NSC 646567
  • UNII-N1ST8V8RR2

Systematic Names

  • 1,8-Dihydroxy-3-methylanthraquinone
  • 9,10-Anthracenedione, 1,8-dihydroxy-3-methyl-
  • 9,10-Anthracenedione, 1,8-dihydroxy-3-methyl- (9CI)
  • Anthraquinone, 1,8-dihydroxy-3-methyl-
  • Chrysophanol

Registry Numbers

CAS Registry Number

  • 481-74-3

FDA UNII

  • N1ST8V8RR2

System Generated Number

  • 0000481743

Structure Descriptors

InChI

1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3

InChIKey

LQGUBLBATBMXHT-UHFFFAOYSA-N

Smiles

c12c(C(c3c(cccc3C1=O)O)=O)c(cc(c2)C)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 196 deg C   EXP
log P (octanol-water) 4.490 (none)   EST
Atmospheric OH Rate Constant 4.67E-11 cm3/molecule-sec 25 EST

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