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328014 Sigma-Aldrich

3-Methylhippuric acid

98%

Synonym: N-(3-Methylbenzoyl)glycine, m-Toluric acid

  • CAS Number 27115-49-7

  • Linear Formula CH3C6H4CONHCH2CO2H

  • Molecular Weight 193.20

  •  MDL number MFCD00044399

  •  PubChem Substance ID 24859707

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C10, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis,
Quality Level   100
assay   98%
mp   138-140 °C (lit.)
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

Description

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).

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. 328014.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

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Protocols & Articles
Peer-Reviewed Papers
15

References

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