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38861-78-8

4-Isobutylacetophenone

CAS: 38861-78-8

Molecular Formula: C12H16O

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38861-78-8 - 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

38861-78-8 - Physico-chemical Properties

Molecular FormulaC12H16O
Molar Mass176.25
Density0,952 g/cm3
Boling Point134-135°C 16mm
Flash Point54°C
Water SolubilityMiscible with chloroform and methanol. Slightly miscible with water.
Vapor Presure0.75Pa at 20℃
Appearanceneat
ColorColorless to Yellow
BRN1935275
Storage ConditionKeep in dark place,Inert atmosphere,Room temperature
Refractive Index1.5180
Physical and Chemical PropertiesLiquid. Boiling point 124-130 deg C (1.33kPa).

38861-78-8 - Risk and Safety

Risk CodesR10 - 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 DescriptionS16 - 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 IDs1224
WGK Germany3
TSCAYes
HS Code29143990
Hazard Class3.2
Packing GroupIII

38861-78-8 - Nature

Open Data Verified Data

liquid, boiling point 124~130 ℃(1. 33kPa).

Last Update:2024-01-02 23:10:35

38861-78-8 - Preparation Method

Open Data Verified Data

prepared by the reaction of isobutylbenzene with acetyl chloride.

Last Update:2022-01-01 10:42:32

38861-78-8 - Application

Open Data Verified Data

in medicine for the synthesis of antipyretic analgesic drugs such as ibuprofen.

Last Update:2025-08-19 16:24:40

38861-78-8 - Reference Information

LogP3.4 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
38861-78-8
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