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62248

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

Name: 2-[4-(1-Hydroxy-2-methylpropyl)phenyl]propanoic acid
Brand: SIAL

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

UNSPSC Code:

41116107

NACRES:

NA.24

PubChem Substance ID:

329759723

MDL number:

MFCD08275586

Beilstein/REAXYS Number:

22307543

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Properties

Quality Segment

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

Description

pictograms

GHS07

signalword

Warning

hcodes

H302

pcodes

P301 + P312 + P330

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk

WGK 3

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