ChemicalBook Product Catalog Analytical Chemistry Analysis reagents Ion chromatography reagents 4'-(2-Methylpropyl)acetophenone

4'-(2-Methylpropyl)acetophenone

4'-(2-Methylpropyl)acetophenone Basic information
Product Name:4'-(2-Methylpropyl)acetophenone
Synonyms:Imp. E:1-(4-isobutylphenyl)ethanone;TIMTEC-BB SBB007668;P-ISO-BUTYLACETOPHENONE;IBUPROFEN IMPURITY E;IBUPROFEN IMP E;ISOBUTYL ACETOPHENONE;4'-Isobutylacetophenone, 97+%;4'-ISOBUTYLACETOPHENONE
CAS:38861-78-8
MF:C12H16O
MW:176.25
EINECS:254-159-8
Product Categories:Aromatic Acetophenones & Derivatives (substituted);Aromatics, Impurities, Pharmaceuticals, Intermediates & Fine Chemicals;Aromatics;Impurities;Intermediates & Fine Chemicals;Pharmaceuticals
Mol File:38861-78-8.mol
4'-(2-Methylpropyl)acetophenone Structure
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
Fp 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
InChIInChI=1S/C12H16O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h4-7,9H,8H2,1-3H3
InChIKeyKEAGRYYGYWZVPC-UHFFFAOYSA-N
SMILESC(=O)(C1=CC=C(CC(C)C)C=C1)C
LogP3.4 at 23℃
CAS DataBase Reference38861-78-8(CAS DataBase Reference)
NIST Chemistry Reference4'-(2-Methylpropyl)acetophenone(38861-78-8)
EPA Substance Registry SystemEthanone, 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 Information
ProviderLanguage
ALFA English
4'-(2-Methylpropyl)acetophenone Usage And Synthesis
Chemical PropertiesClear Colourless Oil
UsesA degradation product of Ibuprofen in tablets, which is a known toxin. Ibuprofen (I140000) impuritiy.
Uses4'-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.
PreparationSynthesis 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.
Synthesis of 4-isobutylacetophenone
General Description4'-(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.
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 4-(2-Methylpropyl)benzeneethanol 2-BROMO-1-(4-ISOBUTYL PHENYL)-1-PROPANONE DAUNOMYCIN, [3H(G)] ACLARUBICIN HYDROCHLORIDE HYPOCRELLIN A 1-(4-ISOBUTYLPHENYL)-3-(3-NITROPHENYL)PROP-2-EN-1-ONE 4'-(2-Methylpropyl)acetophenone VAT GREEN 3 1-(4-ISOBUTYLPHENYL)-3-[4-(TRIFLUOROMETHYL)PHENYL]PROP-2-EN-1-ONE Carubicin 2-CHLORO-1-(4-ISOBUTYLPHENYL)PROPAN-1-ONE 4-(1-HYDROXY-2-METHYLPROPYL)ACETOPHENONE 4-KETO-1,2,3,4-TETRAHYDROBENZPYRENE 4'-ISOBUTYLPROPIOPHENONE Ibuprofen Impurity E
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