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Substance Name: Isobutyl octanoate
RN: 5461-06-3
UNII: 6GT8657GUF
InChIKey: CFQRBRGFNFRMBD-UHFFFAOYSA-N

Molecular Formula

  • C12-H24-O2

Molecular Weight

  • 200.32
 
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Names and Synonyms

Name of Substance

  • Isobutyl octanoate

Synonyms

  • AI3-31003
  • EINECS 226-744-8
  • iso-Butyl caprylate
  • Isobutyl caprylate
  • Isobutyl caprylate (natural)
  • Isobutyl octanoate
  • NSC 23943
  • Octanoic acid, isobutyl ester
  • UNII-6GT8657GUF

Systematic Names

  • Isobutyl octanoate
  • Octanoic acid, 2-methylpropyl ester

Registry Numbers

CAS Registry Number

  • 5461-06-3

FDA UNII

  • 6GT8657GUF

System Generated Number

  • 0005461063

Structure Descriptors

InChI

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

InChIKey

CFQRBRGFNFRMBD-UHFFFAOYSA-N

Smiles

O=C(OCC(C)C)CCCCCCC