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Merck

328022

Sigma-Aldrich

4-Methylhippuric acid

98%

Synonym(s):

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

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About This Item

Linear Formula:
CH3C6H4CONHCH2CO2H
CAS Number:
27115-50-0
Molecular Weight:
193.20
EC Number:
248-231-8
MDL number:
MFCD00020449
UNSPSC Code:
12352100
PubChem Substance ID:
24859708
NACRES:
NA.22

Key Documents

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Quality Level

100

Assay

98%

form

powder

mp

163-165 °C (lit.)

functional group

amide
carboxylic acid

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

Related Categories

General description

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

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

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Certificates of Analysis (COA)

Lot/Batch Number
BCCG6024
BCCD1125
BCCB0142
BCBW6783
BCBS6022V

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