1-Phenyl-2,4-pentanedione

CAS Registry Number®

3318-61-4
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CAS Name

1-Phenyl-2,4-pentanedione

Molecular Formula

C11H12O2

Molecular Mass

176.21

Cite this Page

1-Phenyl-2,4-pentanedione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3318-61-4 (retrieved 2024-09-07) (CAS RN: 3318-61-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    96-100 °C @ Press: 2.5 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H12O2/c1-9(12)7-11(13)8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3

InChIKey

InChIKey=NROOHYGFTHTDFF-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 2,4-Pentanedione, 1-phenyl-
  • 1-Phenyl-2,4-pentanedione
  • 1-Benzyl-1,3-butanedione
  • (Phenylacetyl)acetone