Pinacolone

CAS Registry Number®

75-97-8

CAS Name

Pinacolone

Molecular Formula

C6H12O

Molecular Mass

100.16

Cite this Page

Pinacolone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=75-97-8 (retrieved 2024-11-21) (CAS RN: 75-97-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    106.1 °C

  • Melting Point (2)

    -52.5 °C

  • Density (1)

    0.7229 g/cm³ @ Temp: 25 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
  • (2) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3

InChIKey

InChIKey=PJGSXYOJTGTZAV-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 2-Butanone, 3,3-dimethyl-
  • 3,3-Dimethyl-2-butanone
  • tert-Butyl methyl ketone
  • Methyl tert-butyl ketone
  • Pinacolin

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration