ChemicalBook--->CAS DataBase List--->65322-85-2

65322-85-2

65322-85-2 Structure

65322-85-2 Structure
IdentificationBack Directory
[Name]

3-(4-ISOBUTYL-PHENYL)-PROPIONIC ACID
[CAS]

65322-85-2
[Synonyms]

Ibuprofen-5
IBuprofen Impurity 6
Ibuprofen EP Impurity F
Ibuprofen impurity F CRS
Ibuprofen IMpurity-B(EP)
Ibuprofen impurity F (EP)
Ibuprofen IMpurity-F(EP/BP)
3-(p-Isobutylphenyl)propionic Acid
3-[4-(2-Methylpropyl)phenyl]propano
3-(4-ISOBUTYL-PHENYL)-PROPIONIC ACID
4-(2-Methylpropyl)benzenepropanoic Acid
Imp. F:3-(4-isobutylphenyl)propanoic acid
Benzenepropanoic acid, 4-(2-Methylpropyl)-
Ibuprofen EP Impurity F:Ibuprofen Impurity F
Ibuprofen Impurity 6(Ibuprofen EP Impurity F)
Imp. F (EP): 3-[4-(2-Methylpropyl)phenyl]-propanoic Acid
3-(4-Isobutylphenyl)propanoic Acid (Ibuprofen EP Impurity F)
Ibuprofen impurity 2/Ibuprofen EP Impurity F/3-(4-isobutylphenyl)propanoic acid
[Molecular Formula]

C13H18O2
[MDL Number]

MFCD08275589
[MOL File]

65322-85-2.mol
[Molecular Weight]

206.28
Chemical PropertiesBack Directory
[Boiling point ]

327℃
[density ]

1.033
[Fp ]

225℃
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
[form ]

neat
[pka]

4.68±0.10(Predicted)
[color ]

White to off-white
[Major Application]

pharmaceutical (small molecule)
[InChI]

1S/C13H18O2/c1-10(2)9-12-5-3-11(4-6-12)7-8-13(14)15/h3-6,10H,7-9H2,1-2H3,(H,14,15)
[InChIKey]

DYNVRFFVBZVRND-UHFFFAOYSA-N
[SMILES]

OC(=O)CCc1ccc(cc1)CC(C)C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H319-H335
[Precautionary statements ]

P301+P312+P330-P305+P351+P338
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

3-(4-Isobutylphenyl)propanoic acid is an impurity of Ibuprofen (I140000). Ibuprofen impurity F as per EP.
Spectrum DetailBack Directory
[Spectrum Detail]

3-(4-ISOBUTYL-PHENYL)-PROPIONIC ACID(65322-85-2)1HNMR
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