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Substance Name: Diisobutyl fumarate
RN: 7283-69-4
UNII: 0M3MJB158J
InChIKey: RSRICHZMFPHXLE-AATRIKPKSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C12-H20-O4

Molecular Weight

  • 228.286
 
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Names and Synonyms

Name of Substance

  • Diisobutyl fumarate

Synonyms

  • AI3-32716
  • Diisobutyl fumarate
  • Diisobutylester kyseliny fumarove
  • Diisobutylester kyseliny fumarove [Czech]
  • EINECS 230-706-6
  • NSC 58655
  • UNII-0M3MJB158J

Systematic Names

  • 2-Butenedioic acid (E)-, bis(2-methylpropyl) ester (9CI)
  • 2-Butenedioic acid, bis(2-methylpropyl) ester, (E)-
  • Diisobutyl fumarate
  • Fumaric acid, diisobutyl ester

Registry Numbers

CAS Registry Number

  • 7283-69-4

FDA UNII

  • 0M3MJB158J

System Generated Number

  • 0007283694

Structure Descriptors

InChI

1S/C12H20O4/c1-9(2)7-15-11(13)5-6-12(14)16-8-10(3)4/h5-6,9-10H,7-8H2,1-4H3/b6-5+

InChIKey

RSRICHZMFPHXLE-AATRIKPKSA-N

Smiles

C(\C=C\C(OCC(C)C)=O)(OCC(C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 7490uL/kg (7.49mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 8120uL/kg (8.12mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.