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Substance Name: Isopropyl levulinate
RN: 21884-26-4
UNII: 8B7CLH9MLK
InChIKey: MGJRGGIHFUREHT-UHFFFAOYSA-N

Molecular Formula

  • C8-H14-O3

Molecular Weight

  • 158.196
 
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Names and Synonyms

Name of Substance

  • Isopropyl levulinate

Synonyms

  • AI3-31914
  • EINECS 244-630-6
  • NSC 40953
  • UNII-8B7CLH9MLK

Systematic Names

  • Isopropyl 4-oxovalerate
  • Pentanoic acid, 4-oxo-, 1-methylethyl ester

Registry Numbers

CAS Registry Number

  • 21884-26-4

FDA UNII

  • 8B7CLH9MLK

System Generated Number

  • 0021884264

Structure Descriptors

InChI

InChI=1S/C8H14O3/c1-6(2)11-8(10)5-4-7(3)9/h6H,4-5H2,1-3H3

InChIKey

MGJRGGIHFUREHT-UHFFFAOYSA-N

Smiles

CC(C)OC(=O)CCC(=O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 209.3 deg C   EXP
log P (octanol-water) 0.710 (none)   EST
Atmospheric OH Rate Constant 5.53E-12 cm3/molecule-sec 25 EST

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