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Merck
CN

442941

4-(4-Methylphenyl)-4-oxobutyric acid

98%

Synonym(s):

3-p-Toluoylpropionic acid

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About This Item

Linear Formula:
CH3C6H4COCH2CH2CO2H
CAS Number:
4619-20-9
Molecular Weight:
192.21
UNSPSC Code:
12352100
PubChem Substance ID:
24868039
MDL number:
MFCD00020541

Key Documents

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Product Name

4-(4-Methylphenyl)-4-oxobutyric acid, 98%

InChI

1S/C11H12O3/c1-8-2-4-9(5-3-8)10(12)6-7-11(13)14/h2-5H,6-7H2,1H3,(H,13,14)

SMILES string

Cc1ccc(cc1)C(=O)CCC(O)=O

InChI key

OEEUWZITKKSXAZ-UHFFFAOYSA-N

assay

98%

mp

127-130 °C (lit.)

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Application

4-(4-Methylphenyl)-4-oxobutyric acid (3-(4-Methylbenzoyl)propionic acid) may be used for the synthesis of polymetallic iron(III) complexes.

General description

4-(4-Methylphenyl)-4-oxobutyric acid is an organic building block. It is a commercial corrosion inhibitor.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
06131TR
05618KN

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Glen B Deacon et al.
Chemical communications (Cambridge, England), (23)(23), 2820-2821 (2002-12-14)
The syntheses and structures of the novel Ce-Fe bimetallic complexes [[Fe(sal)2(bpy)]2Ce(NO3)(H2O)3].EtOH and [[Fe(sal)2(bpy)]4Ce2(H2O)11][salH]2.EtOH.3H2O (salH2 = salicylic acid) suggest Fe(3+)-sal2- units and Ce-OC(R)O-Fe bridging contribute to the formation of corrosion inhibitive layers on steel surfaces exposed to [Ce(salH)3(H2O)].
Frey et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 6(8), 1407-1415 (2000-06-07)
Two polymetallic iron(III) complexes 1 and 2 have been synthesised from the known corrosion inhibitor 3-(4-methylbenzoyl)-propionic acid HL1 and their crystal structures determined. Coordination geometries extracted from these structures have been used as the basis for molecular modelling onto idealised

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