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Substance Name: Isobutyl hexanoate
RN: 105-79-3
UNII: 2A3X4W9GZ0
InChIKey: UXUPPWPIGVTVQI-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C10-H20-O2

Molecular Weight

  • 172.266
 
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Names and Synonyms

Name of Substance

  • Isobutyl hexanoate

Synonyms

  • 2-Methyl-1-propyl caproate
  • 2-Methylpropyl hexanoate
  • AI3-24254
  • EINECS 203-332-6
  • FEMA No. 2202
  • Hexanoic acid, 2-methylpropyl ester
  • Hexanoic acid, isobutyl ester
  • Isobutyl caproate
  • Isobutyl caproate (natural)
  • Isobutyl hexanoate
  • UNII-2A3X4W9GZ0

Systematic Names

  • Hexanoic acid, 2-methylpropyl ester
  • Hexanoic acid, isobutyl ester
  • Isobutyl hexanoate

Superlist Name

  • Isobutyl hexanoate

Registry Numbers

CAS Registry Number

  • 105-79-3

FDA UNII

  • 2A3X4W9GZ0

System Generated Number

  • 0000105793

Structure Descriptors

InChI

1S/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3

InChIKey

UXUPPWPIGVTVQI-UHFFFAOYSA-N

Smiles

C(OCC(C)C)(CCCCC)=O