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2,2-Dimethyl-3-hexanone

CAS Registry Number®

5405-79-8

CAS Name

2,2-Dimethyl-3-hexanone

Molecular Formula

C8H16O

Molecular Mass

128.21

Cite this Page

2,2-Dimethyl-3-hexanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5405-79-8 (retrieved 2025-08-02) (CAS RN: 5405-79-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    42-44 °C @ Press: 22 Torr

  • Density (1)

    0.8145 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H16O/c1-5-6-7(9)8(2,3)4/h5-6H2,1-4H3

InChIKey

InChIKey=PYCHXHVFOZBVEY-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 3-Hexanone, 2,2-dimethyl-
  • 2,2-Dimethyl-3-hexanone
  • tert-Butyl propyl ketone
  • NSC 5229

CAS INSIGHTSTM
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