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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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

442941-BULK:
442941-100G:
442941-VAR:
442941-25G:
442941-5G:

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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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