ChemicalBook--->CAS DataBase List--->38861-78-8

38861-78-8

38861-78-8 Structure

38861-78-8 Structure
IdentificationMore
[Name]

4'-(2-Methylpropyl)acetophenone
[CAS]

38861-78-8
[Synonyms]

1-[4-(2-METHYLPROPYL)PHENYL]ETHANONE
1-(4-ISOBUTYLPHENYL)ETHAN-1-ONE
1-(4-ISOBUTYLPHENYL)ETHANONE
4'-ISOBUTYLACETOPHENONE
4-ISOBUTYLACETOPHENONE
IBUPROFEN IMP E
IBUPROFEN IMPURITY E
ISOBUTYL ACETOPHENONE
P-ISO-BUTYLACETOPHENONE
TIMTEC-BB SBB007668
1-[4-(2-methylpropyl)phenyl]-ethanon
Acetophenone, 4-isobutyl-
Ethanone, 1-[4-(2-methylpropyl)phenyl]-
4-Isobutylacetaphenone
1-[4-(2-methylpropyl)phenyl]ethan-1-one
1-(4-(2-METHYLPROPYL)PHENYL)ETNANONE
4'-(2-Methylpropyl)acetophenone
4-lsobutylacetophenone
[EINECS(EC#)]

254-159-8
[Molecular Formula]

C12H16O
[MDL Number]

MFCD00027393
[Molecular Weight]

176.25
[MOL File]

38861-78-8.mol
Chemical PropertiesBack Directory
[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
[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]

38861-78-8(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
[Signal word ]

Warning
[Hazard statements ]

H315-H317-H411
[Precautionary statements ]

P261-P264-P272-P273-P280-P302+P352
[Hazard Codes ]

Xn
[Risk Statements ]

R10:Flammable.
R40:Limited evidence of a carcinogenic effect.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S36:Wear suitable protective clothing .
S22:Do not breathe dust .
[RIDADR ]

1224
[WGK Germany ]

3
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

29143990
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Aquatic Chronic 2
Skin Irrit. 2
Skin Sens. 1B
Raw materials And Preparation ProductsBack Directory
[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
Hazard InformationBack Directory
[Chemical Properties]

Clear Colourless Oil
[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.
Synthesis of 4-isobutylacetophenone
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

4'-(2-Methylpropyl)acetophenone(38861-78-8)MS
4'-(2-Methylpropyl)acetophenone(38861-78-8)1HNMR
4'-(2-Methylpropyl)acetophenone(38861-78-8)13CNMR
4'-(2-Methylpropyl)acetophenone(38861-78-8)IR1
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4'-Isobutylacetophenone, 97%(38861-78-8)
[TCI AMERICA]

4'-Isobutylacetophenone,>96.0%(GC)(38861-78-8)
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