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Substance Name: 5-Methyl-2-furfural
RN: 620-02-0
UNII: 4482BZC72D
InChIKey: OUDFNZMQXZILJD-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Natural Product

Molecular Formula

  • C6-H6-O2

Molecular Weight

  • 110.1114
 
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Names and Synonyms

Name of Substance

  • 5-Methyl-2-furfural

Synonyms

  • 2-Formyl-5-methylfuran
  • 2-Furaldehyde, 5-methyl-
  • 2-Furancarboxaldehyde, 5-methyl-
  • 2-Methyl-5-formylfuran
  • 5-17-09-00404 (Beilstein Handbook Reference)
  • 5-Methyl furfural
  • 5-Methyl-2-furaldehyde
  • 5-Methyl-2-furancarboxaldehyde
  • 5-Methyl-2-furfural
  • 5-Methyl-2-furfuraldehyde
  • 5-Methylfuran-2-al
  • 5-Methylfuran-2-carbaldehyde
  • 5-Methylfurfural
  • 5-Methylfurfuraldehyde
  • AI3-36591
  • BRN 0106895
  • CCRIS 2921
  • EINECS 210-622-6
  • FEMA No. 2702
  • UNII-4482BZC72D

Systematic Names

  • 2-Furaldehyde, 5-methyl-
  • 2-Furancarboxaldehyde, 5-methyl-
  • 5-Methylfurfural

Superlist Name

  • 5-Methyl-2-furaldehyde

Registry Numbers

CAS Registry Number

  • 620-02-0

FDA UNII

  • 4482BZC72D

System Generated Number

  • 0000620020

Structure Descriptors

InChI

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

InChIKey

OUDFNZMQXZILJD-UHFFFAOYSA-N

Smiles

c1(oc(C)cc1)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2200mg/kg (2200mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 751, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 187 deg C   EXP
log P (octanol-water) 0.67 (none)   EXP
Water Solubility 2.91E+04 mg/L 25 EST
Vapor Pressure 1.920 mm Hg 25 EST
Henry's Law Constant 1.48E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.10E-11 cm3/molecule-sec 27 EXP

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