ChemicalBook--->CAS DataBase List--->4118-51-8

4118-51-8

4118-51-8 Structure

4118-51-8 Structure
IdentificationBack Directory
[Name]

2-Hydroxy-2-phenylacetic acid isopropyl ester
[CAS]

4118-51-8
[Synonyms]

isopropyl mandelate
Pregablin Impurity-D
Mandelic acid isopropyl
Pregabalin Impurity D(EP)
Mandelic Acid Isopropyl Ester
Isopropyl 2-hydroxy-2-phenylacetate
Propan-2-yl (2RS)-2-Hydroxy-2-pheny
propan-2-yl 2-hydroxy-2-phenylacetate
Hydroxyphenylacetic acid isopropyl ester
Hydroxy(phenyl)acetic acid isopropyl ester
α-Hydroxybenzeneacetic acid isopropyl ester
2-Hydroxy-2-phenylacetic acid isopropyl ester
Pregabalin Impurity 42 ( Pregabalin EP Impurity D)
Benzeneacetic acid, α-hydroxy-, 1-methylethyl ester
Pregabalin EP Impurity D (Mandelic Acid Isopropyl Ester)
Mandelic Acid Isopropyl Ester (Pregabalin EP Impurity D)
Isopropyl 2-hydroxy-2-phenylacetate (Pregabalin Impurity)
Pregabalin impurity 3/Pregabalin EP Impurity D/2-Hydroxy-2-phenylacetic acid isopropyl ester
[Molecular Formula]

C11H14O3
[MDL Number]

MFCD01715837
[MOL File]

4118-51-8.mol
[Molecular Weight]

194.23
Chemical PropertiesBack Directory
[Boiling point ]

249.15°C (rough estimate)
[density ]

1.0312 (rough estimate)
[refractive index ]

1.5600 (estimate)
[storage temp. ]

2-8°C
[pka]

12.39±0.20(Predicted)
[Major Application]

pharmaceutical (small molecule)
[InChI]

1S/C11H14O3/c1-8(2)14-11(13)10(12)9-6-4-3-5-7-9/h3-8,10,12H,1-2H3
[InChIKey]

SCJJMBMUZTUIJU-UHFFFAOYSA-N
[SMILES]

O(C(C)C)C(=O)C(O)c1ccccc1
[LogP]

1.780 (est)
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Hazard InformationBack Directory
[Uses]

Isopropyl DL-Mandelate is used in nonporous silica/alumina amorphous material. Pregabalin (P704800) impurity.
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