4'-(2-Methylpropyl)acetophenone

Synonym(s):1-(4-Isobutylphenyl)ethanone;1-Acetyl-4-isobutylbenzene

CAS NO.：38861-78-8
Empirical Formula: C12H16O
Molecular Weight: 176.25
MDL number: MFCD00027393
EINECS: 254-159-8
SAFETY DATA SHEET (SDS)
Update Date: 2024-10-30 18:52:02

4'-(2-Methylpropyl)acetophenone Structural

What is 4'-(2-Methylpropyl)acetophenone?

Chemical properties

Clear Colourless Oil

The Uses of 4'-(2-Methylpropyl)acetophenone

A degradation product of Ibuprofen in tablets, which is a known toxin. Ibuprofen (I140000) impuritiy.

The Uses of 4'-(2-Methylpropyl)acetophenone

4'-isobutylacetophenone is an important starting material employed in the production of pharmaceuticals such as ibuprofen. It is also utilized in proteomics research. It is used as an intermediate in organic synthesis.

Preparation

Synthesis of 4-isobutylacetophenone: toluene and propylene are reacted with the participation of metal potassium, sodium carbonate and graphite, Alkylation on methyl to generate isobutylbenzene, Then with acetyl chloride in the participation of anhydrous aluminum trichloride to obtain the product.

General Description

4'-(2-Methylpropyl)acetophenone, also known as Ibuprofen EP Impurity E, is an impurity of ibuprofen. Ibuprofen is a nonsteroidal anti-inflammatory drug (NSAID). It works by blocking your body's production of certain natural substances that cause inflammation.

Properties of 4'-(2-Methylpropyl)acetophenone

Boiling point:	134-135°C 16mm
Density	0,952 g/cm³
vapor pressure	0.75Pa at 20℃
refractive index	1.5180
Flash point:	54°C
storage temp.	Keep in dark place,Inert atmosphere,Room temperature
solubility	soluble in Dichloromethane; Diethyl Ether; Ethyl Acetate; THF
form	neat
color	Colorless to Yellow
Water Solubility	Miscible with chloroform and methanol. Slightly miscible with water.
BRN	1935275
InChI	InChI=1S/C12H16O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h4-7,9H,8H2,1-3H3
CAS DataBase Reference	38861-78-8(CAS DataBase Reference)
NIST Chemistry Reference	4'-(2-Methylpropyl)acetophenone(38861-78-8)
EPA Substance Registry System	Ethanone, 1-[4-(2-methylpropyl)phenyl]- (38861-78-8)

Safety information for 4'-(2-Methylpropyl)acetophenone

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07 Environment GHS09
GHS Hazard Statements	H315:Skin corrosion/irritation H317:Sensitisation, Skin H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P272:Contaminated work clothing should not be allowed out of the workplace. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water.