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Substance Name: Ethyl levulinate
RN: 539-88-8
UNII: 7BU24CSS2G
InChIKey: GMEONFUTDYJSNV-UHFFFAOYSA-N

Classification Codes

  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C7-H12-O3

Molecular Weight

  • 144.169
 
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Names and Synonyms

Name of Substance

  • Ethyl levulinate

Synonyms

  • 4-03-00-01562 (Beilstein Handbook Reference)
  • AI3-00677
  • BRN 0507641
  • EINECS 208-728-2
  • Ethyl 3-acetylpropionate
  • Ethyl 4-ketovalerate
  • Ethyl 4-oxopentanoate
  • Ethyl 4-oxovalerate
  • Ethyl acetylpropanoate
  • Ethyl ketovalerate
  • Ethyl laevulinate
  • Ethyl levulate
  • Ethyl levulinate
  • Ethyl levulinate (natural)
  • FEMA No. 2442
  • Levulinic acid, ethyl ester
  • NSC 24876
  • Pentanoic acid, 4-oxo-, ethyl ester
  • UNII-7BU24CSS2G

Systematic Names

  • Ethyl 4-oxovalerate
  • Levulinic acid, ethyl ester
  • Pentanoic acid, 4-oxo-, ethyl ester

Superlist Name

  • Ethyl levulinate

Registry Numbers

CAS Registry Number

  • 539-88-8

FDA UNII

  • 7BU24CSS2G

Other Registry Number

  • 1790637-12-5

System Generated Number

  • 0000539888

Structure Descriptors

InChI

1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3

InChIKey

GMEONFUTDYJSNV-UHFFFAOYSA-N

Smiles

C(CCC(C)=O)(OCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 679, 1982.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 679, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 205.8 deg C   EXP
log P (octanol-water) 0.290 (none)   EST
Water Solubility 4.57E+04 mg/L 25 EST
Henry's Law Constant 2.08E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.75E-12 cm3/molecule-sec 25 EST

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