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Substance Name: Furfural
RN: 98-01-1
UNII: DJ1HGI319P
InChIKey: HYBBIBNJHNGZAN-UHFFFAOYSA-N

Note

  • A heterocyclic compound consisting of a furan where the hydrogen at position 2 is substituted by a formyl group.

Molecular Formula

  • C5-H4-O2

Molecular Weight

  • 96.0846
 

Classification Codes

Classification Codes

  • Human Data
  • Mutation Data
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 3
  • Reportable Quantity (RQ) = 5000 lb
  • TWA (2 ppm); skin; Confirmed animal carcinogen with unknown relevance to humans; BEI
  • TWA 5 ppm (20 mg/m3); skin

Names and Synonyms

Name of Substance

  • 2-Furancarboxaldehyde
  • Furaldehyde
  • Furfural

MeSH Heading

  • Furaldehyde

Synonyms

  • 2-Formylfuran
  • 2-Formylofuran
  • 2-Formylofuran [Polish]
  • 2-Furaldehyde
  • 2-Furanaldehyde
  • 2-Furancarbonal
  • 2-Furancarboxaldehyde
  • 2-Furankarbaldehyd
  • 2-Furankarbaldehyd [Czech]
  • 2-Furfural
  • 2-Furfuraldehyde
  • 2-Furil-metanale
  • 2-Furil-metanale [Italian]
  • 2-Furyl-methanal
  • 2-Furylaldehyde
  • 2-Furylcarboxaldehyde
  • 5-17-09-00292 (Beilstein Handbook Reference)
  • AI3-04466
  • Ant Oil, artificial
  • Artificial ant oil
  • Artificial oil of ants
  • Bran oil
  • BRN 0105755
  • Caswell No. 466
  • CCRIS 1044
  • EC 202-627-7
  • EINECS 202-627-7
  • EPA Pesticide Chemical Code 043301
  • FEMA No. 2489
  • Fural
  • Furaldehyde
  • Furale
  • Furancarbonal
  • Furfural
  • Furfural (natural)
  • Furfuraldehyde
  • Furfurale
  • Furfurale [Italian]
  • Furfurol
  • Furfurole
  • Furfurylaldehyde
  • Furol
  • Furole
  • Furyl-methanal
  • HSDB 542
  • NCI-C56177
  • NSC 8841
  • Pyromucic aldehyde
  • Quakeral
  • RCRA waste number U125
  • UNII-DJ1HGI319P

Systematic Names

  • 2-Furaldehyde
  • 2-Furancarboxaldehyde
  • Furfural

Superlist Names

  • 2-Furaldehyde
  • 2-Furancarboxaldehyde
  • Furaldehydes
  • Furaldehydes [UN1199] [Poison]
  • Furfural
  • RCRA waste no. U125
  • UN1199

Registry Numbers

CAS Registry Number

  • 98-01-1

FDA UNII

  • DJ1HGI319P

System Generated Number

  • 0000098011

Structure Descriptors

InChI

InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H

InChIKey

HYBBIBNJHNGZAN-UHFFFAOYSA-N

Smiles

O=Cc1occc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LC50 inhalation 370ppm/6H (370ppm)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 279, 1969.
dog LD50 intravenous 250mg/kg (250mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 759, 1978.
dog LD50 oral 950mg/kg (950mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: ATAXIA		 "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 279, 1969.
dog LD50 subcutaneous 214mg/kg (214mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 759, 1978.
frog LDLo parenteral 23gm/kg (23000mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 21, Pg. 65, 1923.
guinea pig LD50 oral 541mg/kg (541mg/kg) KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"

LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL"

BLOOD: HEMORRHAGE		 Hygiene and Sanitation Vol. 32(5), Pg. 158, 1967.
guinea pig LDLo subcutaneous 100mg/kg (100mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 759, 1978.
human TCLo inhalation 310ug/m3 (0.31mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 26(6), Pg. 3, 1961.
mouse LCLo inhalation 370ppm/6H (370ppm)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 279, 1969.
mouse LD50 intraperitoneal 102mg/kg (102mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 759, 1978.
mouse LD50 intravenous 152mg/kg (152mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 759, 1978.
mouse LD50 oral 400mg/kg (400mg/kg)   Biochemical Journal. Vol. 34, Pg. 1196, 1940.
mouse LD50 subcutaneous 119mg/kg (119mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 759, 1978.
rabbit LD50 intramuscular 78mg/kg (78mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 759, 1978.
rabbit LDLo oral 800mg/kg (800mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION		 Journal of Pharmacology and Experimental Therapeutics. Vol. 21, Pg. 65, 1923.
rabbit LDLo skin 620mg/kg (620mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 759, 1978.
rabbit LDLo subcutaneous 500mg/kg (500mg/kg)   Hygiene and Sanitation Vol. 32(5), Pg. 158, 1967.
rat LC50 inhalation 175ppm/6H (175ppm)   American Industrial Hygiene Association Journal. Vol. 50, Pg. A359, 1989.
rat LC50 inhalation 175ppm/6H (175ppm) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES American Industrial Hygiene Association Journal. Vol. 50, Pg. A359, 1989.
rat LD50 intraperitoneal 20mg/kg (20mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 759, 1978.
rat LD50 oral 65mg/kg (65mg/kg)   Bromatologia i Chemia Toksykologiczna. Vol. 13, Pg. 371, 1980.
rat LD50 subcutaneous 148mg/kg (148mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 279, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.65E+01 deg C   EXP
Boiling Point 161.7 deg C   EXP
log P (octanol-water) 0.41 (none)   EXP
Water Solubility 7.70E+04 mg/L 25 EXP
Vapor Pressure 2.21 mm Hg 25 EXP
Henry's Law Constant 3.37E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.51E-11 cm3/molecule-sec 27 EXP

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