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Substance Name: 2-Acetylfuran
RN: 1192-62-7
UNII: Q5ZRP80K02
InChIKey: IEMMBWWQXVXBEU-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C6-H6-O2

Molecular Weight

  • 110.111
 
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Names and Synonyms

Name of Substance

  • 2-Acetylfuran

Synonyms

  • 1-(2-Furanyl)ethanone
  • 1-(2-Furyl)ethanone
  • 2-Acetylfuran
  • 2-Furyl methyl ketone
  • 2-Furyl methyl ketone (natural)
  • 2-Furylethanone
  • 5-17-09-00381 (Beilstein Handbook Reference)
  • Acetylfuran
  • AI3-23586
  • BRN 0107909
  • CCRIS 3161
  • EINECS 214-757-1
  • Ethanone, 1-(2-furanyl)-
  • FEMA No. 3163
  • Furan, 2-acetyl-
  • Ketone, 2-furyl methyl
  • Methyl 2-furyl ketone
  • NSC 4665
  • NSC 49133
  • UNII-Q5ZRP80K02

Systematic Names

  • 2-Acetylfuran
  • 2-Furyl methyl ketone
  • Ethanone, 1-(2-furanyl)-
  • Ketone, 2-furyl methyl

Superlist Name

  • 2-Furyl methyl ketone

Registry Numbers

CAS Registry Number

  • 1192-62-7

FDA UNII

  • Q5ZRP80K02

Other Registry Numbers

  • 1906904-64-0
  • 80145-44-4

System Generated Number

  • 0001192627

Structure Descriptors

InChI

InChI=1S/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H3

InChIKey

IEMMBWWQXVXBEU-UHFFFAOYSA-N

Smiles

CC(=O)c1occc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LC50 inhalation 1130mg/m3/4H (1130mg/m3) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0559116,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 33 deg C   EXP
Boiling Point 175 deg C   EXP
log P (octanol-water) 0.52 (none)   EXP
Water Solubility 3.91E+04 mg/L 25 EST
Vapor Pressure 3.470 mm Hg 25 EST
Henry's Law Constant 9.79E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.70E-11 cm3/molecule-sec 25 EST

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