ChemicalBook--->CAS DataBase List--->53949-53-4

53949-53-4

53949-53-4 Structure

53949-53-4 Structure
IdentificationBack Directory
[Name]

Benzeneacetic acid, 4-(1-hydroxy-2-methylpropyl)--alpha--methyl- (9CI)
[CAS]

53949-53-4
[Synonyms]

1-Hydroxyibuprofen
Ibuprofen EP Impurity
Ibuprofen Impurity 12
Ibuprofen EP Impurity L
Ibuprofen IMpurity-L(EP/BP)
2-[4-(1-Hydroxy-2-methylpropyl)phen
1-Hydroxy Ibuprofen (Ibuprofen Impurity L)
Ibuprofen EP Impurity L:Ibuprofen Impurity L
Ibuprofen Impurity 12(Ibuprofen EP Impurity L)
1-Hydroxy-ibuprofen - Mixture of diastereoisomers
2-[4'-(1-Hydroxy-2-methylpropyl)phenyl]propionic Acid
4-(1-Hydroxy-2-methylpropyl)-a-methylbenzeneacetic Acid
4-(1-Hydroxy-2-Methylpropyl)-α-Methylbenzeneacetic Acid
Benzeneacetic acid, 4-(1-hydroxy-2-methylpropyl)-α-methyl-
Ibuprofen impurity 6/Ibuprofen EP Impurity L/1-Hydroxy Ibuprofen
1-Hydroxy Ibuprofen (Ibuprofen Impurity L)(Mixture of Diastereomers)
Benzeneacetic acid, 4-(1-hydroxy-2-methylpropyl)--alpha--methyl- (9CI)
Imp. L (EP): 2-[4-(1-Hydroxy-2-methylpropyl)phenyl]propanoic Acid(1-Hydroxyibuprofen)
[Molecular Formula]

C13H18O3
[MDL Number]

MFCD08275586
[MOL File]

53949-53-4.mol
[Molecular Weight]

222.28
Chemical PropertiesBack Directory
[Melting point ]

80-85°C
[Boiling point ]

367.5±22.0 °C(Predicted)
[density ]

1.119±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

Acetonitrile (Slightly), Chloroform (Slightly, Heated), Methanol (Slightly)
[form ]

neat
[pka]

4.39±0.10(Predicted)
[color ]

White to Off-White
[BRN ]

22307543
[InChI]

InChI=1S/C13H18O3/c1-8(2)12(14)11-6-4-10(5-7-11)9(3)13(15)16/h4-9,12,14H,1-3H3,(H,15,16)
[InChIKey]

RMOQYHYFRKTDRI-UHFFFAOYSA-N
[SMILES]

C1(C(C)C(O)=O)=CC=C(C(O)C(C)C)C=C1
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22
[Safety Statements ]

36
[WGK Germany ]

3
Hazard InformationBack Directory
[Chemical Properties]

Off-White Solid
[Uses]

Degradation product of Ibuprofen. Ibuprofen impurity L
[Definition]

ChEBI: 1-Hydroxyibuprofen is a monocarboxylic acid and a member of benzenes.
[storage]

Store at -20°C
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