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Substance Name: Butyl levulinate
RN: 2052-15-5
UNII: OI56208RTB
InChIKey: ISBWNEKJSSLXOD-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C9-H16-O3

Molecular Weight

  • 172.222
 
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Names and Synonyms

Name of Substance

  • Butyl levulinate

Synonyms

  • 4-03-00-01563 (Beilstein Handbook Reference)
  • 4-Ketopentanoic acid butyl ester
  • AI3-00518
  • BRN 1768453
  • Butyl 4-ketovalerate
  • Butyl 4-oxopentanoate
  • Butyl acetylpropionate
  • Butyl laevulinate
  • Butyl levulinate
  • EC 218-143-4
  • EINECS 218-143-4
  • FEMA No. 2207
  • Levulinic acid, butyl ester
  • n-Butyl laevulinate
  • n-Butyl levulinate
  • NSC 78451
  • Pentanoic acid, 4-oxo-, butyl ester
  • UNII-OI56208RTB

Systematic Names

  • Levulinic acid, butyl ester
  • n-Butyl 4-oxopentanoate
  • Pentanoic acid, 4-oxo-, butyl ester

Superlist Name

  • Butyl levulinate

Registry Numbers

CAS Registry Number

  • 2052-15-5

FDA UNII

  • OI56208RTB

System Generated Number

  • 0002052155

Structure Descriptors

InChI

1S/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3

InChIKey

ISBWNEKJSSLXOD-UHFFFAOYSA-N

Smiles

C(CCC(C)=O)(OCCCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 21, Pg. 655, 1983.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 21, Pg. 655, 1983.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 237.5 deg C   EXP
log P (octanol-water) 1.270 (none)   EST
Atmospheric OH Rate Constant 6.66E-12 cm3/molecule-sec 25 EST

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