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442941

Sigma-Aldrich

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
MDL number:
MFCD00020541
UNSPSC Code:
12352100
PubChem Substance ID:
24868039

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

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General description

4-(4-Methylphenyl)-4-oxobutyric acid is an organic building block. It is a commercial corrosion inhibitor.[1]

Application

4-(4-Methylphenyl)-4-oxobutyric acid (3-(4-Methylbenzoyl)propionic acid) may be used for the synthesis of polymetallic iron(III) complexes.[1]

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

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)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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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