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Merck

90025

Supelco

α,4-Dimethylphenylacetic acid

pharmaceutical impurity standard

Synonym(s):

(2RS)-2-(4-Methylphenyl)propionic acid, Ibuprofen impurity D (PhEur), 2-(4-Methylphenyl)propanoic acid, p-Methylhydratropic acid

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About This Item

Linear Formula:
CH3C6H4CH(CH3)CO2H
CAS Number:
Molecular Weight:
164.20
Beilstein:
2251315
MDL number:
UNSPSC Code:
12352200
PubChem Substance ID:

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Quality Level

API family

ibuprofen

Assay

≥98.0% (HPLC)

shelf life

limited shelf life, expiry date on the label

impurities

≤0.5% water

mp

37-42 °C (lit.)

application(s)

pharmaceutical (small molecule)

format

neat

SMILES string

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

InChI

1S/C10H12O2/c1-7-3-5-9(6-4-7)8(2)10(11)12/h3-6,8H,1-2H3,(H,11,12)

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Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

230.0 °F - closed cup

Flash Point(C)

110 °C - closed cup


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