Isoamyl isobutyrate

CAS Registry Number®

2050-01-3

CAS Name

Isoamyl isobutyrate

Molecular Formula

C9H18O2

Molecular Mass

158.24

Cite this Page

Isoamyl isobutyrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2050-01-3 (retrieved 2024-11-24) (CAS RN: 2050-01-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    168.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3

InChIKey

InChIKey=VFTGLSWXJMRZNB-UHFFFAOYSA-N

SMILES

O(C(C(C)C)=O)CCC(C)C

Canonical SMILES

O=C(OCCC(C)C)C(C)C

Other Names for this Substance

  • Propanoic acid, 2-methyl-, 3-methylbutyl ester
  • Isobutyric acid, isopentyl ester
  • Isopentyl alcohol, isobutyrate
  • 3-Methylbutyl isobutyrate
  • Isoamyl isobutyrate

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