328014
3-Methylhippuric acid
98%
Synonym(s):
N-(3-Methylbenzoyl)glycine, m-Toluric acid
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About This Item
Linear Formula:
CH3C6H4CONHCH2CO2H
CAS Number:
Molecular Weight:
193.20
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
assay
98%
mp
138-140 °C (lit.)
functional group
amide, carboxylic acid
SMILES string
Cc1cccc(c1)C(=O)NCC(O)=O
InChI
1S/C10H11NO3/c1-7-3-2-4-8(5-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
InChI key
YKAKNMHEIJUKEX-UHFFFAOYSA-N
General description
3-Methylhippuric acid is also referred as m-methyl-hippuric acid. It is major product of xylene biotransformation in urine.
Application
3-Methylhippuric acid was employed as biological marker in studies on occupational exposure to xylene (solvent).
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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D de Carvalho et al.
International archives of occupational and environmental health, 63(1), 33-37 (1991-01-01)
The industrial solvents, toluene and xylene, have physicochemical properties that can be hazardous to the workers exposed. Since hippuric acid and m-methyl-hippuric acid represent the products of toluene and xylene biotransformation in urine, they are used as biological markers in
L Campbell et al.
British journal of industrial medicine, 45(2), 127-132 (1988-02-01)
In a series of experiments to investigate interactions between industrial solvents and common medications the interaction between m-xylene and aspirin was studied. As both these substances are metabolised and excreted as glycine conjugates there would possibly be competition for this
Determination of methylhippuric acid in human urine by high-performance liquid chromatography and by isotachophoresis.
J Sollenberg et al.
Journal of chromatography, 343(2), 419-423 (1985-10-11)