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Methyl isobutyl ketone

CAS Registry Number®

108-10-1

CAS Name

Methyl isobutyl ketone

Molecular Formula

C6H12O

Molecular Mass

100.16

Cite this Page

Methyl isobutyl ketone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=108-10-1 (retrieved 2024-11-21) (CAS RN: 108-10-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    115.8 °C @ Press: 760 Torr

  • Melting Point (1)

    -85 °C

  • Density (1)

    0.8042 g/cm³ @ Temp: 20 °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/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3

InChIKey

InChIKey=NTIZESTWPVYFNL-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(C)CC(C)C

Other Names for this Substance

  • 2-Pentanone, 4-methyl-
  • 4-Methyl-2-pentanone
  • Isobutyl methyl ketone
  • Methyl isobutyl ketone
  • 2-Methyl-4-pentanone

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Deleted or Replaced CAS Registry Numbers

1338234-91-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration