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Substance Name: 3-Methylfuran
RN: 930-27-8
UNII: 5R72A0440N
InChIKey: KJRRQXYWFQKJIP-UHFFFAOYSA-N

Molecular Formula

  • C5-H6-O

Molecular Weight

  • 82.1014
 
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Names and Synonyms

Name of Substance

  • 3-Methylfuran

Synonyms

  • 3-Methylfuran
  • 5-17-01-00330 (Beilstein Handbook Reference)
  • BRN 0104217
  • NSC 346905
  • UNII-5R72A0440N

Systematic Name

  • Furan, 3-methyl-

Registry Numbers

CAS Registry Number

  • 930-27-8

FDA UNII

  • 5R72A0440N

System Generated Number

  • 0000930278

Structure Descriptors

InChI

1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3

InChIKey

KJRRQXYWFQKJIP-UHFFFAOYSA-N

Smiles

c1(ccoc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 3022mg/m3/1H (3022mg/m3) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Toxicology and Applied Pharmacology. Vol. 72, Pg. 124, 1984.
rat LC50 inhalation 6651mg/m3/1H (6651mg/m3) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Experimental and Molecular Pathology. Vol. 39, Pg. 342, 1983.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 66 deg C   EXP
log P (octanol-water) 1.910 (none)   EST
Water Solubility 3030 mg/L 25 EST
Vapor Pressure 72.7 mm Hg 25 EST
Henry's Law Constant 5.93E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.35E-11 cm3/molecule-sec 25 EXP

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