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Merck
CN

62728

(2RS)-2-[4-(2-Methylpropyl)phenyl]propan-1-ol

pharmaceutical impurity standard

Synonym(s):

Ibuprofen impurity P (PhEur), β-Methyl-4-(2-methylpropyl)benzeneethanol, 2-(4-Isobutylphenyl)propanol, 2-(4-Isobutylphenyl)propyl alcohol, Ibuprofen alcohol

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About This Item

Empirical Formula (Hill Notation):
C13H20O
CAS Number:
36039-36-8
Molecular Weight:
192.30
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329759750
MDL number:
MFCD08275583
Beilstein/REAXYS Number:
1945151

Key Documents

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InChI

1S/C13H20O/c1-10(2)8-12-4-6-13(7-5-12)11(3)9-14/h4-7,10-11,14H,8-9H2,1-3H3

SMILES string

OCC(C)C1=CC=C(CC(C)C)C=C1

InChI key

IZXWIWYERZDWOA-UHFFFAOYSA-N

assay

≥98.0% (HPLC)

shelf life

limited shelf life, expiry date on the label

impurities

≤1.0% water

application(s)

forensics and toxicology
pharmaceutical (small molecule)

format

neat

Quality Level

100

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Storage Class

13 - Non Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
BCCD4551
BCBV4154

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