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Substance Name: Methyl 2-furoate
RN: 611-13-2
UNII: O9A8D29YDE
InChIKey: HDJLSECJEQSPKW-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Skin / Eye Irritant

Molecular Formula

  • C6-H6-O3

Molecular Weight

  • 126.11
 
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Names and Synonyms

Name of Substance

  • Methyl 2-furoate

Synonyms

  • 2-(Methoxycarbonyl)furan
  • 2-Furancarboxylic acid, methyl ester
  • 2-Furoic acid, methyl ester
  • 5-18-06-00103 (Beilstein Handbook Reference)
  • AI3-23585
  • BRN 0111110
  • CCRIS 2158
  • EINECS 210-254-6
  • FEMA No. 2703
  • Methyl 2-furancarboxylate
  • Methyl 2-furoate
  • Methyl 2-furylcarboxylate
  • Methyl pyromucate
  • NSC 35551
  • Pyromucic acid methyl ester
  • UNII-O9A8D29YDE

Systematic Names

  • 2-Furancarboxylic acid, methyl ester
  • 2-Furoic acid, methyl ester
  • Methyl 2-furoate

Superlist Name

  • Methyl 2-furoate

Registry Numbers

CAS Registry Number

  • 611-13-2

FDA UNII

  • O9A8D29YDE

System Generated Number

  • 0000611132

Structure Descriptors

InChI

1S/C6H6O3/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3

InChIKey

HDJLSECJEQSPKW-UHFFFAOYSA-N

Smiles

c1(C(OC)=O)ccco1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 1250mg/kg (1250mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 869, 1979.
rat LD50 oral 300mg/kg (300mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0559247,
rat LDLo intraperitoneal 75mg/kg (75mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 58, Pg. 174, 1936.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 181.3 deg C   EXP
log P (octanol-water) 1 (none)   EXP
Water Solubility 1.33E+04 mg/L 25 EST
Vapor Pressure 2.550 mm Hg 25 EST
Henry's Law Constant 3.46E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.32E-11 cm3/molecule-sec 25 EST

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