4,4-Dimethyl-1-phenyl-1,3-pentanedione

CAS Registry Number®

13988-67-5

CAS Name

4,4-Dimethyl-1-phenyl-1,3-pentanedione

Molecular Formula

C13H16O2

Molecular Mass

204.26

Cite this Page

4,4-Dimethyl-1-phenyl-1,3-pentanedione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13988-67-5 (retrieved 2024-12-22) (CAS RN: 13988-67-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    162-163 °C @ Press: 10 Torr

  • Melting Point (2)

    202 °C

  • Density (2)

    1.0488 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H16O2/c1-13(2,3)12(15)9-11(14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3

InChIKey

InChIKey=HORVLKADAZQYRS-UHFFFAOYSA-N

SMILES

C(CC(C(C)(C)C)=O)(=O)C1=CC=CC=C1

Canonical SMILES

O=C(C=1C=CC=CC1)CC(=O)C(C)(C)C

Other Names for this Substance

  • 1,3-Pentanedione, 4,4-dimethyl-1-phenyl-
  • 4,4-Dimethyl-1-phenyl-1,3-pentanedione
  • 2,2-Dimethyl-5-phenyl-3,5-pentanedione
  • Benzoylpivaloylmethane
  • Pivaloylbenzoylmethane

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