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328022 Sigma-Aldrich

4-Methylhippuric acid

98%

Synonym: N-(4-Methylbenzoyl)glycine, p-Toluric acid

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Properties

Related Categories Building Blocks, C10, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis,
assay   98%
mp   163-165 °C (lit.)
storage temp.   room temp
SMILES string   Cc1ccc(cc1)C(=O)NCC(O)=O
InChI   1S/C10H11NO3/c1-7-2-4-8(5-3-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
InChI key   NRSCPTLHWVWLLH-UHFFFAOYSA-N

Description

General description

4-Methylhippuric acid is the major metabolite of xylene and has been determined in urine by gas chromatography.

Packaging

1 g in glass bottle

Other Notes

Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 328022.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Safety & Documentation

Safety Information

Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable
Protocols & Articles
Peer-Reviewed Papers
15

References

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