4'-(2-Methylpropyl)acetophenone Chemical Properties

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

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

InChIKey

KEAGRYYGYWZVPC-UHFFFAOYSA-N

SMILES

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

LogP

3.4 at 23℃

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

Hazard Codes 

Xn,N,Xi

Risk Statements 

10-40-52/53-43

Safety Statements 

16-36-22-61-36/37

RIDADR 

1224

WGK Germany 

3

TSCA 

Yes

HazardClass 

3.2

PackingGroup 

III

HS Code 

29143990

MSDS

• Language:English Provider:ALFA

4'-(2-Methylpropyl)acetophenone Usage And Synthesis

Chemical Properties

Clear Colourless Oil

Uses

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.

Uses

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

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.

4'-(2-Methylpropyl)acetophenone(38861-78-8)Related Product Information

• Ibuprofen
• 1-Hydroxyibuprofen
• (S)-(+)-Ibuprofen
• 1-Oxo Ibuprofen
• Ibuprofen Ethyl Ester
• 2-[4-(2-Methylpropyl)phenyl] ethanol
• 6-isobutyl-3-methyl-2,3-dihydro-1H-inden-1-one
• 2-(4-Methylphenyl)propanoic acid
• (2RS)-2-(4-BUTYLPHENYL)PROPANOIC ACID
• rac 2-Hydroxy Ibuprofen
• 4-(2-Methylpropyl)benzeneethanol
• (R)-(-)-IBUPROFEN
• Ibuprofen EP Impurity I
• 3-(4-ISOBUTYL-PHENYL)-PROPIONIC ACID
• p-Isobutylstyrene
• rac-Ibuprofen amide
• rac a-Hydroxy Ibuprofen
• (2RS)-2-(4-FORMYLPHENYL)PROPANOIC ACID
• Ibuprofen Impurity E