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138177

Sigma-Aldrich

2,5-Dimethylbenzoic acid

95%

Synonym(s):

p-Xylylic acid

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About This Item

Linear Formula:
(CH3)2C6H3CO2H
CAS Number:
610-72-0
Molecular Weight:
150.17
Beilstein:
971588
EC Number:
210-235-2
MDL number:
MFCD00002482
UNSPSC Code:
12352100
PubChem Substance ID:
24848237
NACRES:
NA.22

Assay

95%

form

powder

bp

268 °C (lit.)

mp

132-134 °C (lit.)

SMILES string

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

InChI

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

InChI key

XZRHNAFEYMSXRG-UHFFFAOYSA-N

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General description

2,5-Dimethylbenzoic acid is a metabolite of pseudocumene (1,2,4-trimethylbenzene).

Application

2,5-Dimethylbenzoic acid was used in the synthesis of new derivatives of [24]paracyclophane. It was used as starting reagent in the synthesis of methyl 2,5-dimethylbenzoate.

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

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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Substituted [24] paracyclophanes.
Shabtai E , et al.
Journal of the Chemical Society. Perkin Transactions 1, 2(11), 2411-2414 (1997)
Synthesis and properties of photoluminescent polymers bearing electron-facilitating oxadiazole derivative side groups.
Kim JJ, et al.
Journal of Polymer Science Part A: Polymer Chemistry, 40(8), 1173-1183 (2002)
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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