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Substance Name: Octyl isobutyrate
RN: 109-15-9
UNII: T5819VWJ3T
InChIKey: PQCYCHFQWMNQRJ-UHFFFAOYSA-N

Molecular Formula

  • C12-H24-O2

Molecular Weight

  • 200.3196
 
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Names and Synonyms

Name of Substance

  • Octyl isobutyrate

Synonyms

  • Acetyl 2-methylpropanoate
  • AI3-24265
  • Caprylyl isobutyrate
  • EINECS 203-651-0
  • ENT 24265
  • FEMA No. 2808
  • Isobutyric acid, octyl ester
  • n-Octyl isobutyrate
  • NSC 72024
  • Octyl 2-methylpropanoate
  • Octyl isobutyrate
  • Propanoic acid, 2-methyl-, octyl ester
  • UNII-T5819VWJ3T

Systematic Names

  • Isobutyric acid, octyl ester (6CI,7CI,8CI)
  • Octyl isobutyrate
  • Propanoic acid, 2-methyl-, acetyl ester
  • Propanoic acid, 2-methyl-, octyl ester

Superlist Name

  • Octyl isobutyrate

Registry Numbers

CAS Registry Number

  • 109-15-9

FDA UNII

  • T5819VWJ3T

System Generated Number

  • 0000109159

Structure Descriptors

InChI

1S/C12H24O2/c1-4-5-6-7-8-9-10-14-12(13)11(2)3/h11H,4-10H2,1-3H3

InChIKey

PQCYCHFQWMNQRJ-UHFFFAOYSA-N

Smiles

O(C(C(C)C)=O)CCCCCCCC

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. 893, 1975.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 893, 1975.