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D149608

Sigma-Aldrich

3,5-Dimethylbenzoic acid

99%

Synonym(s):

Mesitylenic acid, sym.-m-Xylylic acid

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About This Item

Linear Formula:
(CH3)2C6H3CO2H
CAS Number:
499-06-9
Molecular Weight:
150.17
Beilstein:
1072182
EC Number:
207-876-5
MDL number:
MFCD00002525
UNSPSC Code:
12352100
PubChem Substance ID:
24893453
NACRES:
NA.22

Assay

99%

form

crystals

mp

169-171 °C (lit.)

SMILES string

Cc1cc(C)cc(c1)C(O)=O

InChI

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

InChI key

UMVOQQDNEYOJOK-UHFFFAOYSA-N

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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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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R B Cain et al.
Biochemical and biophysical research communications, 238(1), 197-201 (1997-09-23)
Here we report that the bacterial catabolism of 4-hydroxy-3,5-dimethylbenzoic acid 1 takes a different course in Rhodococcus rhodochrous N75 and Pseudomonas sp. strain HH35. The former organism accumulates a degradation metabolite of the acid which we isolated and identified as
J Järnberg et al.
International archives of occupational and environmental health, 69(6), 491-497 (1997-01-01)
The aim of this study was to determine the urinary excretion of dimethylhippuric acids (DMHAs) in humans after experimental chamber exposure to trimethylbenzene (TMB) vapor. The DMHAs have been put forward as suitable biomarkers of exposure to products containing TMBs
P Kostrewski et al.
Toxicology letters, 77(1-3), 259-264 (1995-05-01)
The possibility of evaluating occupational exposure to mesitylene based on the determination of unchanged solvent in capillary blood or 3,5-dimethylbenzoic acid in urine was investigated. The volunteers were exposed to mesitylene in a toxicological chamber (range 10-150 mg/m3). Concentrations of
P Kostrzewski et al.
The Science of the total environment, 199(1-2), 73-81 (1997-06-20)
Trimethylbenzene (TMB) is a component of numerous commercial preparations of organic solvents (Farbasol, Solvesso, Shellsol) used in the chemical, plastics, printing and other industries. TMB is a mixture of three isomers (pseudocumene-1,2,4-TMB; mesitylene-1,3,5-TMB; hemimellitene-1,2,3-TMB). The proportion of individual isomers in
Farooq Ali Shah et al.
Dalton transactions (Cambridge, England : 2003), 44(22), 10467-10478 (2015-05-16)
Three new organotin(iv) carboxylates () of 3,5-dimethylbenzoate, have been synthesized and characterized by elemental analysis, FT-IR, multinuclear NMR ((1)H, (13)C and (119)Sn), mass spectrometry and single crystal X-ray structural analysis. Crystallographic data show that in compounds and , the geometry

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