Isobutyl isobutyrate

CAS Registry Number®

97-85-8

CAS Name

Isobutyl isobutyrate

Molecular Formula

C8H16O2

Molecular Mass

144.21

Cite this Page

Isobutyl isobutyrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=97-85-8 (retrieved 2024-11-22) (CAS RN: 97-85-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    148.6 °C

  • Melting Point (1)

    -80.66 °C

  • Density (1)

    0.8750 g/cm³ @ Temp: 0 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3

InChIKey

InChIKey=RXGUIWHIADMCFC-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Propanoic acid, 2-methyl-, 2-methylpropyl ester
  • Isobutyric acid, isobutyl ester
  • Isobutyl isobutyrate
  • 2-Methylpropyl isobutyrate
  • 2-Methylpropyl 2-methylpropanoate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration