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Substance Name: Ethyl 2-furoate
RN: 614-99-3
UNII: S1H449R92T
InChIKey: NHXSTXWKZVAVOQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H8-O3

Molecular Weight

  • 140.137
 
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Names and Synonyms

Name of Substance

  • Ethyl 2-furoate

Synonyms

  • 2-(Ethoxycarbonyl)furan
  • 2-Carboethoxyfuran
  • 5-18-06-00104 (Beilstein Handbook Reference)
  • AI3-23056
  • BRN 0002653
  • EINECS 210-404-0
  • Ethyl 2-furancarboxylate
  • Ethyl 2-furoate
  • Ethyl 2-furylcarboxylate
  • Ethyl pyromucate
  • Ethyl-2-furoate
  • Furan-2-carboxylic acid ethyl ester
  • NSC 2304
  • UNII-S1H449R92T

Systematic Names

  • 2-Furancarboxylic acid, ethyl ester
  • 2-Furoic acid, ethyl ester
  • Ethyl 2-furoate

Registry Numbers

CAS Registry Number

  • 614-99-3

FDA UNII

  • S1H449R92T

System Generated Number

  • 0000614993

Structure Descriptors

InChI

1S/C7H8O3/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3

InChIKey

NHXSTXWKZVAVOQ-UHFFFAOYSA-N

Smiles

c1(C(OCC)=O)ccco1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00372,
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
Melting Point 34.5 deg C   EXP
Boiling Point 196.8 deg C   EXP
log P (octanol-water) 1.52 (none)   EXP
Water Solubility 4210 mg/L 25 EST
Henry's Law Constant 4.60E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.48E-11 cm3/molecule-sec 25 EST

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