P-ISO-BUTYLACETOPHENONE
4-Isobutylacetophenone
CAS: 38861-78-8
Molecular Formula: C12H16O
P-ISO-BUTYLACETOPHENONE - Names and Identifiers
| Name | 4-Isobutylacetophenone |
| Synonyms | IBUPROFEN IMP E TIMTEC-BB SBB007668 IBUPROFEN IMPURITY E ISOBUTYL ACETOPHENONE 4-Isobutylacetaphenone 4-Isobutylacetophenone P-ISO-BUTYLACETOPHENONE 4'-ISOBUTYLACETOPHENONE 4-methyl-3-phenylpentan-2-one 4'-(2-Methylpropyl)Acetophenone 1-[4-(2-METHYLPROPYL)PHENYL]ETHANONE |
| CAS | 38861-78-8 |
| EINECS | 254-159-8 |
| InChI | InChI=1/C12H16O/c1-9(2)12(10(3)13)11-7-5-4-6-8-11/h4-9,12H,1-3H3 |
P-ISO-BUTYLACETOPHENONE - Physico-chemical Properties
| Molecular Formula | C12H16O |
| Molar Mass | 176.25 |
| Density | 0,952 g/cm3 |
| Boling Point | 134-135°C 16mm |
| Flash Point | 54°C |
| Water Solubility | Miscible with chloroform and methanol. Slightly miscible with water. |
| Vapor Presure | 0.75Pa at 20℃ |
| Appearance | neat |
| Color | Colorless to Yellow |
| BRN | 1935275 |
| Storage Condition | Keep in dark place,Inert atmosphere,Room temperature |
| Refractive Index | 1.5180 |
| Physical and Chemical Properties | Liquid. Boiling point 124-130 deg C (1.33kPa). |
P-ISO-BUTYLACETOPHENONE - Risk and Safety
| Risk Codes | R10 - Flammable R40 - Limited evidence of a carcinogenic effect R52/53 - Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R43 - May cause sensitization by skin contact |
| Safety Description | S16 - Keep away from sources of ignition. S36 - Wear suitable protective clothing. S22 - Do not breathe dust. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S36/37 - Wear suitable protective clothing and gloves. |
| UN IDs | 1224 |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29143990 |
| Hazard Class | 3.2 |
| Packing Group | III |
P-ISO-BUTYLACETOPHENONE - Nature
Open Data Verified Data
liquid, boiling point 124~130 ℃(1. 33kPa).
Last Update：2024-01-02 23:10:35
P-ISO-BUTYLACETOPHENONE - Preparation Method
Open Data Verified Data
prepared by the reaction of isobutylbenzene with acetyl chloride.
Last Update：2022-01-01 10:42:32
P-ISO-BUTYLACETOPHENONE - Use
Open Data Verified Data
in medicine for the synthesis of antipyretic analgesic drugs such as ibuprofen.
Last Update：2022-01-01 10:42:32
P-ISO-BUTYLACETOPHENONE - Reference Information
| LogP | 3.4 at 23℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | used in medicine to synthesize antipyretic analgesic ibuprofen, etc. |
| Production method | The reaction of toluene and propylene with the participation of potassium metal, sodium carbonate and graphite, the methyl group is alkylated to produce isobutylbenzene, and then acetyl chloride is acetylated with the participation of anhydrous aluminum trichloride to prepare the product. |
Last Update：2024-04-09 02:00:08
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