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138169

Sigma-Aldrich

2,4-Dimethylbenzoic acid

98%

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Synonym(s):
asym.-m-Xylylic acid
Linear Formula:
(CH3)2C6H3CO2H
CAS Number:
Molecular Weight:
150.17
Beilstein:
971589
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

98%

form

solid

bp

267 °C/727 mmHg (lit.)

mp

124-126 °C (lit.)

SMILES string

Cc1ccc(c(C)c1)C(O)=O

InChI

1S/C9H10O2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3,(H,10,11)

InChI key

BKYWPNROPGQIFZ-UHFFFAOYSA-N

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General description

2,4-Dimethylbenzoic acid has antibacterial activity. It is a metabolite of pseudocumene (1,2,4-trimethylbenzene).

Application

2,4-Dimethylbenzoic acid was used in capillary electrophoretic separation of α-, β-, γ- and δ-cyclodextrins.

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Bi Yunmei et al.
Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials, 27(4), 270-272 (2004-08-17)
The antibacterial activity of fourteen identified compounds from secondary metabolites of fungus Cephalosporium sp. AL031 against eleven gram-positive or gram-negative bacteria in vitro was investigated by agar diffusion assay. The results suggested that two new compounds [S-(+)-5-hydroxymellein, S-(+)-7-hydroxymellein], together with
Capillary electrophoretic separation of α-, β-, γ-and δ-cyclodextrins using a dual electrolyte system.
Lambertsen KL and Zimmermann W.
Journal of Chromatography A, 811(1), 193-199 (1998)
J Cerf et al.
Archives of toxicology, 45(2), 93-100 (1980-07-01)
In order to identify biological indicators of exposure to trimethylbenzenes, the metabolism of pseudocumene (1,2,4-trimethylbenzene) was investigated in rabbits. After oral administration of this compound, urine was collected for several days and analyzed for the presence of acidic metabolites. Isolation
Radosław Swiercz et al.
International journal of occupational medicine and environmental health, 15(1), 37-42 (2002-06-01)
The objective of this study was to evaluate the toxicokinetics and metabolism of pseudocumene after inhalation exposure. Male Wistar rats were exposed to pseudocumene vapors at nominal concentrations of 25,100 or 250 ppm in the dynamic inhalation chambers for 6

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