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Substance Name: Esculetin
RN: 305-01-1
UNII: SM2XD6V944
InChIKey: ILEDWLMCKZNDJK-UHFFFAOYSA-N

Note

  • Used in filters for absorption of ultraviolet light.

Molecular Formula

  • C9-H6-O4

Molecular Weight

  • 178.142
 

Classification Codes

  • Antioxidants
  • Drug / Therapeutic Agent
  • Natural Product
  • Protective Agents
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Names and Synonyms

Name of Substance

  • Esculetin

Synonyms

  • 5-18-03-00202 (Beilstein Handbook Reference)
  • 6,7-Dihydroxy-2H-1-benzopyran-2-one
  • 6,7-Dihydroxycoumarin
  • Aesculetin
  • Asculetine
  • BRN 0152788
  • CCRIS 7065
  • Cichorigenin
  • Cichoriin aglucon
  • Cichoriin aglycon
  • EINECS 206-161-5
  • Esculatin
  • Esculetin
  • Esculetol
  • Esculin aglucon
  • Esculin aglycon
  • NSC 26428
  • UNII-SM2XD6V944

Systematic Names

  • 2H-1-Benzopyran-2-one, 6,7-dihydroxy-
  • 2H-1-Benzopyran-2-one, 6,7-dihydroxy- (9CI)
  • 6,7-Dihydroxy-2-benzopyrone
  • 6,7-Dihydroxy-2H-1-benzopyran-2-one
  • Coumarin, 6,7-dihydroxy-
  • Esculetin

Registry Numbers

CAS Registry Number

  • 305-01-1

FDA UNII

  • SM2XD6V944

System Generated Number

  • 0000305011

Structure Descriptors

InChI

1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H

InChIKey

ILEDWLMCKZNDJK-UHFFFAOYSA-N

Smiles

c12c(cc(O)c(c1)O)ccc(o2)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1500mg/kg (1500mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 64, Pg. 714, 1968.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 276 deg C   EXP
log P (octanol-water) 0.550 (none)   EST
Atmospheric OH Rate Constant 3.38E-11 cm3/molecule-sec 25 EST

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