4'-(2-Methylpropyl)acetophenone, CAS#38861-78-8
Also named 4'-Isobutylacetophenone, this compound is officially recognised as Ibuprofen EP Impurity E. It emerges as a characteristic process-related impurity generated during the industrial synthesis route of ibuprofen raw material.
Ibuprofen belongs to typical nonsteroidal anti-inflammatory drugs (NSAIDs) with extensive clinical applications. It exerts pharmacological effects by inhibiting the synthesis of inflammatory mediators inside human organisms, effectively alleviating fever, pain and inflammatory reactions. As the specified pharmacopoeia impurity reference substance, 4'-(2-Methylpropyl)acetophenone plays an irreplaceable role in pharmaceutical quality control laboratories.
Manufacturers of ibuprofen APIs and finished pharmaceutical preparations widely adopt this product as standard reference material. It supports analytical method development, verification of detection procedures, routine impurity monitoring and batch release testing, fully complying with EP pharmacopoeia specifications and ICH impurity control guidelines. Strict tracking of this impurity is essential to guarantee the safety and consistent quality of final ibuprofen medicinal products.
Apart from its application as pharmacopoeia impurity standard, the substance also serves as a valuable aromatic ketone intermediate for custom organic synthesis and fine chemical research projects. Our product maintains stable batch-to-batch purity and reliable property consistency, satisfying analytical laboratory demands as well as large-scale industrial synthesis production requirements.
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 | liquid |
color | Colorless to Yellow |
Water Solubility | Miscible with chloroform and methanol. Slightly miscible with water. |
BRN | 1935275 |
Major Application | pharmaceutical (small molecule) |
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 | TSCA listed |
HazardClass | 3.2 |
PackingGroup | III |
HS Code | 29143990 |
Storage Class | 10 - Combustible liquids |
Hazard Classifications | Aquatic Chronic 2 |
Commonly referred to as 4'-isobutylacetophenone, this aromatic ketone compound acts as a vital foundational raw material within the pharmaceutical manufacturing sector. It serves as a core synthetic building block for the industrial production of ibuprofen, a globally mainstream nonsteroidal anti-inflammatory drug. Beyond pharmaceutical synthesis, this chemical intermediate boasts diversified research and laboratory applications. It is widely adopted in proteomics-related scientific research to support experimental exploration and analytical study. Furthermore, it functions as a versatile intermediate for various custom organic synthesis projects, participating in the preparation of multiple fine chemical derivatives. Thanks to its stable chemical reactivity and controllable impurity profile, it can satisfy strict quality requirements for both industrial continuous production and academic laboratory research scenarios.
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