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Substance Name: Isobutyl-2-furanpropionate
RN: 105-01-1
UNII: VTW5O0BY7T
InChIKey: SVDPTFHRRNUNRS-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C11-H16-O3

Molecular Weight

  • 196.244
 
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Names and Synonyms

Name of Substance

  • Isobutyl-2-furanpropionate

Synonyms

  • 2-Furanpropanoic acid, 2-methylpropyl ester
  • 2-Furanpropionic acid, isobutyl ester
  • 2-Methylpropyl 2-furanpropanoate
  • BRN 4991049
  • EINECS 203-261-0
  • FEMA No. 2198
  • Isobutyl 3-(2-furan)propionate
  • Isobutyl 3-(2-furyl)propanoate
  • Isobutyl furfurylacetate
  • Isobutyl furylpropionate
  • Isobutyl-2-furanpropionate
  • UNII-VTW5O0BY7T

Systematic Names

  • 2-Furanpropanoic acid, 2-methylpropyl ester
  • 2-Furanpropionic acid, isobutyl ester
  • Isobutyl furan-2-propionate

Superlist Name

  • Isobutyl 2-furanpropionate

Registry Numbers

CAS Registry Number

  • 105-01-1

FDA UNII

  • VTW5O0BY7T

System Generated Number

  • 0000105011

Structure Descriptors

InChI

1S/C11H16O3/c1-9(2)8-14-11(12)6-5-10-4-3-7-13-10/h3-4,7,9H,5-6,8H2,1-2H3

InChIKey

SVDPTFHRRNUNRS-UHFFFAOYSA-N

Smiles

c1(CCC(OCC(C)C)=O)ccco1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 2gm/kg (2000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 835, 1979.
rat LD50 oral 1950mg/kg (1950mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 835, 1979.