4-Methyl-1-phenyl-3-pentanone

CAS Registry Number®

40463-09-0

CAS Name

4-Methyl-1-phenyl-3-pentanone

Molecular Formula

C12H16O

Molecular Mass

176.25

Cite this Page

4-Methyl-1-phenyl-3-pentanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=40463-09-0 (retrieved 2024-11-25) (CAS RN: 40463-09-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    256 °C @ Press: 760 Torr

  • Density (1)

    0.9755 g/cm³ @ Temp: 40 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H16O/c1-10(2)12(13)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

InChIKey

InChIKey=QATHVLKLWVUSRC-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 3-Pentanone, 4-methyl-1-phenyl-
  • 4-Methyl-1-phenyl-3-pentanone
  • 2-Methyl-5-phenyl-3-pentanone
  • Isopropyl phenethyl ketone

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