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Substance Name: Furoin
RN: 552-86-3
UNII: FP41RNB020
InChIKey: MIJRFWVFNKQQDK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H8-O4

Molecular Weight

  • 192.169
 
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Names and Synonyms

Name of Substance

  • Furoin

Synonyms

  • 1,2-Di-2-furanyl-2-hydroxyethanone
  • 5-19-05-00551 (Beilstein Handbook Reference)
  • AI3-02545
  • BRN 0383995
  • EINECS 209-024-8
  • Ethanone, 1,2-di-2-furanyl-2-hydroxy-
  • Ethanone, 1,2-di-2-furyl-2-hydroxy-
  • Furoin
  • Furoylfurylcarbinol
  • HSDB 2115
  • Ketone, 2-furyl alpha-hydroxyfurfuryl
  • NSC 18522
  • UNII-FP41RNB020

Systematic Names

  • 2,2'-Furoin
  • Ethanone, 1,2-di-2-furanyl-2-hydroxy-
  • Furoin (8CI)

Registry Numbers

CAS Registry Number

  • 552-86-3

FDA UNII

  • FP41RNB020

Other Registry Number

  • 92921-36-3

System Generated Number

  • 0000552863

Structure Descriptors

InChI

1S/C10H8O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9,11H

InChIKey

MIJRFWVFNKQQDK-UHFFFAOYSA-N

Smiles

c1([C@@H](C(c2ccco2)=O)O)ccco1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 62500ug/kg (62.5mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 2, Pg. 301, 1950.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 135.5 deg C   EXP
log P (octanol-water) 0.54 (none)   EXP
Water Solubility 5.36E+04 mg/L 25 EST
Vapor Pressure 2.49E-05 mm Hg 25 EST
Henry's Law Constant 1.23E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.38E-10 cm3/molecule-sec 25 EST

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