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Substance Name: Butyl 2-furoate
RN: 583-33-5
UNII: 1F9715415C
InChIKey: PAMQYEWNNPDBLM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H12-O3

Molecular Weight

  • 168.191
 
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Names and Synonyms

Name of Substance

  • Butyl 2-furoate

Synonyms

  • 2-Furoic acid, n-butyl ester
  • 4-18-00-03918 (Beilstein Handbook Reference)
  • AI3-00646
  • BRN 0117938
  • Butyl 2-furancarboxylate
  • Butyl 2-furoate
  • Butyl furoate
  • NSC 5602
  • UNII-1F9715415C

Systematic Names

  • 2-Furancarboxylic acid, butyl ester (9CI)
  • 2-Furoic acid, butyl ester

Registry Numbers

CAS Registry Number

  • 583-33-5

FDA UNII

  • 1F9715415C

System Generated Number

  • 0000583335

Structure Descriptors

InChI

1S/C9H12O3/c1-2-3-6-12-9(10)8-5-4-7-11-8/h4-5,7H,2-3,6H2,1H3

InChIKey

PAMQYEWNNPDBLM-UHFFFAOYSA-N

Smiles

c1(C(OCCCC)=O)ccco1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1500mg/kg (1500mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BLOOD: HEMORRHAGE
Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 9, Pg. 118, 1967.
rat LDLo intraperitoneal 100mg/kg (100mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 58, Pg. 174, 1936.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 233 deg C   EXP
log P (octanol-water) 2.420 (none)   EST
Atmospheric OH Rate Constant 1.77E-11 cm3/molecule-sec 25 EST

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