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Substance Name: Butyl isovalerate
RN: 109-19-3
UNII: 4UX6V9QM2J
InChIKey: AYWJSCLAAPJZEF-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C9-H18-O2

Molecular Weight

  • 158.239
 
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Names and Synonyms

Name of Substance

  • Butyl isovalerate

Synonyms

  • 1-Butyl isovalerate
  • 3-02-00-00698 (Beilstein Handbook Reference)
  • AI3-33584
  • BRN 1752803
  • Butanoic acid, 3-methyl-, butyl ester
  • Butyl 3-methylbutanoate
  • Butyl 3-methylbutyrate
  • Butyl isopentanoate
  • Butyl isovalerate
  • Butyl isovalerate (natural)
  • Butyl isovalerianate
  • EINECS 203-654-7
  • FEMA No. 2218
  • HSDB 6383
  • Isovaleric acid, butyl ester
  • n-Butyl 3-methylbutanoate
  • n-Butyl isopentanoate
  • n-Butyl isovalerate
  • NSC 6187
  • UNII-4UX6V9QM2J

Systematic Names

  • Butanoic acid, 3-methyl-, butyl ester
  • Butyl isovalerate
  • Isovaleric acid, butyl ester

Superlist Name

  • Butyl isovalerate

Registry Numbers

CAS Registry Number

  • 109-19-3

FDA UNII

  • 4UX6V9QM2J

System Generated Number

  • 0000109193

Structure Descriptors

InChI

1S/C9H18O2/c1-4-5-6-11-9(10)7-8(2)3/h8H,4-7H2,1-3H3

InChIKey

AYWJSCLAAPJZEF-UHFFFAOYSA-N

Smiles

O(C(CC(C)C)=O)CCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 oral 8230mg/kg (8230mg/kg) CARDIAC: PULSE RATE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE
Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 18, Pg. 659, 1980.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 18, Pg. 659, 1980.