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Safety Information

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
form:
powder
Assay:
98%

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

328022-5G:
328022-BULK:
328022-1G:
328022-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
BCCL9899
BCCJ0996
BCCG6024
BCCD1125
BCCB0142

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P T Mayer et al.
AAPS pharmSci, 2(2), E14-E14 (2001-12-14)
To explore the independence of functional group contributions to permeability of nonelectrolytes across egg lecithin bilayers, the transport rates were measured of a series of alpha-substituted p-methylhippuric acids (-H, -Cl, -OCH3, -CN, -OH, -COOH, and -CONH2) across egg lecithin lipid
Peter T Mayer et al.
Journal of pharmaceutical sciences, 91(3), 640-646 (2002-03-29)
The barrier domain solubility-diffusion theory of lipid bilayer permeability relates the permeability coefficient (P(m)) to the solute's partition coefficient (PC(barrier/w)) and diffusion coefficient (D(barrier)) in the ordered chain region of the bilayer that serves as the barrier region for polar
Measurement of exposure to xylenes by separate determination of m- and p-methylhippuric acids in urine.
M Morin et al.
Journal of chromatography, 210(2), 346-349 (1981-06-05)
G Bieniek et al.
British journal of industrial medicine, 38(3), 304-306 (1981-08-01)
The separation of hippuric and m-methylhippuric acid as toluene and m-xylene metabolites present in urine of people exposed simultaneously to toluene and xylene is described. Chloroform was used for hippuric and m-methylhippuric acid extraction. Satisfactory separation of these metabolites was
Simultaneous determination of hippuric acid and o-, m- and p-methylhippuric acids in urine by high-performance liquid chromatography.
T Sakai et al.
Journal of chromatography, 276(1), 182-188 (1983-08-12)
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