Introduction：Basic information about 4'-(2-Methylpropyl)acetophenone CAS 38861-78-8, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
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 |
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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
Skin Irrit. 2
Skin Sens. 1B |
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.
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| 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 Preparation Products And Raw materials
| Raw materials | Aluminum chloride-->Graphite-->Potassium-->Isobutylbenzene-->1-(4-Isobutylphenyl)ethanol-->DL-2-(4-Carboxyphenyl)propionic Acid-->rac a-Hydroxy Ibuprofen-->1-Hydroxyibuprofen-->4-ISOBUTYLBENZOIC ACID-->(2RS)-2-(4-FORMYLPHENYL)PROPANOIC ACID-->1-Oxo Ibuprofen-->4-Acetylbenzoic acid-->Ibuprofen |
| Preparation Products | 4-Isobutylbenzaldehyde |
