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62248

Supelco

2-[4-(1-Hydroxy-2-methylpropyl)phenyl]propanoic acid

pharmaceutical impurity standard

Synonym(s):

1-Hydroxyibuprofen, Ibuprofen impurity L (PhEur), 2-[4-(1-Hydroxy-2-methylpropyl)phenyl]propionic acid

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About This Item

Empirical Formula (Hill Notation):
C13H18O3
CAS Number:
53949-53-4
Molecular Weight:
222.28
Beilstein/REAXYS Number:
22307543
MDL number:
MFCD08275586
UNSPSC Code:
41116107
PubChem Substance ID:
329759723
NACRES:
NA.24

Quality Level

100

assay

≥98.0% (HPLC)

shelf life

limited shelf life, expiry date on the label

impurities

≤0.5% water

application(s)

forensics and toxicology
pharmaceutical (small molecule)

format

neat

SMILES string

CC(C)C(O)c1ccc(cc1)C(C)C(O)=O

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)

InChI key

RMOQYHYFRKTDRI-UHFFFAOYSA-N

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Related Categories

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
BCCD7873
BCCD4481
BCCC6554
BCCB5695
BCBV2399

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Ibuprofen ≥98% (GC)

Sigma-Aldrich

I4883

Ibuprofen

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