3-Methyl-4-phenyl-2-butanone

CAS Registry Number®

2550-27-8

CAS Name

3-Methyl-4-phenyl-2-butanone

Molecular Formula

C11H14O

Molecular Mass

162.23

Cite this Page

3-Methyl-4-phenyl-2-butanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2550-27-8 (retrieved 2024-11-01) (CAS RN: 2550-27-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    118-120 °C @ Press: 14 Torr
  • Melting Point (2)

    104-105 °C
  • Density (3)

    0.974 g/cm³ @ Temp: 18 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H14O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3

InChIKey

InChIKey=YEHRTTZJTORGJL-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 2-Butanone, 3-methyl-4-phenyl-
  • 3-Methyl-4-phenyl-2-butanone

Deleted or Replaced CAS Registry Numbers

94942-91-3

CAS INSIGHTSTM
Adam Sanford and Orr Ravitz from CAS