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Substance Name: Butyl isobutyrate
RN: 97-87-0
UNII: PW9UJ5C0F3
InChIKey: JSLCOZYBKYHZNL-UHFFFAOYSA-N

Molecular Formula

  • C8-H16-O2

Molecular Weight

  • 144.2124
 
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Names and Synonyms

Results Name

  • Butyl isobutyrate

Name of Substance

  • Butyl isobutyrate

Synonyms

  • AI3-24261
  • Butyl 2-methylpropanoate
  • Butyl isobutanoate
  • Butyl isobutyrate
  • Butyl isobutyrate (natural)
  • EINECS 202-614-6
  • FEMA No. 2188
  • Isobutyric acid, butyl ester
  • Propanoic acid, 2-methyl-, butyl ester
  • UNII-PW9UJ5C0F3

Systematic Names

  • Butyl isobutyrate
  • Isobutyric acid, butyl ester
  • Propanoic acid, 2-methyl-, butyl ester

Superlist Name

  • Butyl isobutyrate

Registry Numbers

CAS Registry Number

  • 97-87-0

FDA UNII

  • PW9UJ5C0F3

System Generated Number

  • 0000097870

Structure Descriptors

InChI

1S/C8H16O2/c1-4-5-6-10-8(9)7(2)3/h7H,4-6H2,1-3H3

InChIKey

JSLCOZYBKYHZNL-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 731, 1975.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 731, 1975.