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HomeProduct name listIsobutyrophenone

Isobutyrophenone

Synonym(s):2-Methyl-1-phenyl-1-propanone;Isobutyrylbenzene

  • CAS NO.:611-70-1
  • Empirical Formula: C10H12O
  • Molecular Weight: 148.2
  • MDL number: MFCD00008917
  • EINECS: 210-275-0
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2023-04-23 13:52:06
Isobutyrophenone Structural

What is Isobutyrophenone?

Chemical properties

clear colorless to very slightly yellow liquid

The Uses of Isobutyrophenone

Isobutyrophenone is used as an internal standard in the determination of hydroxyzine hydrochloride and benzyl alcohol in injection solutions. It is also used in the preparation of alpha-hydroxyisobutyrophenone. Isobutyrophenone is employed as photosensitizer intermediate. It can react with bromoacetic acid ethyl ester to get 3-hydroxy-4-methyl-3-phenyl-valeric acid ethyl ester.

Preparation

Isobutyrophenone synthesis: Benzene underwent a Friedel–Crafts acylation with isobutyryl chloride to synthesize isobutyrophenone. The reaction was performed using excess benzene as a replacement for a typical solvent and heat to reflux (88 °C) for a period of 3 hours. Any unreacted benzene was recovered after the reaction during the distillation process. A 66 % yield of isobutyrophenone was obtained from the solar synthesis, compared to a 44 % yield from an in-lab, electrical heating analysis.
Isobutyrophenone synthesis

Synthesis Reference(s)

Journal of the American Chemical Society, 71, p. 1061, 1949 DOI: 10.1021/ja01171a084
The Journal of Organic Chemistry, 32, p. 404, 1967 DOI: 10.1021/jo01288a032
Tetrahedron Letters, 14, p. 2491, 1973

Flammability and Explosibility

Non flammable

Properties of Isobutyrophenone

Melting point: 1 °C
Boiling point: 217 °C (lit.)
Density  0.988 g/mL at 25 °C (lit.)
vapor pressure  1 mm Hg ( 50 °C)
refractive index  n20/D 1.517(lit.)
Flash point: 184 °F
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Sparingly), Methanol (Slightly)
form  Oil
color  Colourless
Water Solubility  immiscible
BRN  774499
CAS DataBase Reference 611-70-1(CAS DataBase Reference)
NIST Chemistry Reference Isopropyl phenyl ketone(611-70-1)
EPA Substance Registry System 1-Propanone, 2-methyl-1-phenyl- (611-70-1)

Safety information for Isobutyrophenone

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P501:Dispose of contents/container to..…

Computed Descriptors for Isobutyrophenone

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