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442941

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

Name: 4-(4-Methylphenyl)-4-oxobutyric acid
Brand: ALDRICH

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

Assay:

98%

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Properties

assay

98%

mp

127-130 °C (lit.)

SMILES string

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

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)

InChI key

OEEUWZITKKSXAZ-UHFFFAOYSA-N

Description

General description

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

Application

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

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pictograms

GHS07

signalword

Warning

hcodes

H315,H319,H335

pcodes

P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338

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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Elucidating the mode of action of a corrosion inhibitor for iron

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

Heterometallic CeIII-FeIII-salicylate networks: models for corrosion mitigation of steel surfaces by the 'green' inhibitor, Ce(salicylate)3.

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)].

Global Trade Item Number

SKU	GTIN
442941-5G	04061831829884