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27115-50-0

27115-50-0 Structure

27115-50-0 Structure
IdentificationMore
[Name]

4-METHYLHIPPURIC ACID
[CAS]

27115-50-0
[Synonyms]

[(4-METHYLBENZOYL)AMINO]ACETIC ACID
4-METHYLHIPPURIC ACID
N-(4-METHYLBENZOYL)GLYCINE
N-(P-TOLUOYL)GLYCINE
P-METHYLHIPPURIC ACID
P-TOLURIC ACID
PARA-METHYLHIPPURICACID
4-METHYLHIPPURIC ACID 98%
N-(4-Methylbenzoyl)glycine, p-Toluric acid
p-Methylbenzoylaminoacetic acid
[EINECS(EC#)]

248-231-8
[Molecular Formula]

C10H11NO3
[MDL Number]

MFCD00020449
[Molecular Weight]

193.2
[MOL File]

27115-50-0.mol
Chemical PropertiesBack Directory
[Appearance]

WHITE CRYSTALLINE POWDER
[Melting point ]

163-165 °C (lit.)
[Boiling point ]

329.41°C (rough estimate)
[density ]

1.2307 (rough estimate)
[refractive index ]

1.5300 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

3.72±0.10(Predicted)
[color ]

White to Off-White
[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)
[InChIKey]

NRSCPTLHWVWLLH-UHFFFAOYSA-N
[SMILES]

Cc1ccc(cc1)C(=O)NCC(O)=O
[CAS DataBase Reference]

27115-50-0(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[HS Code ]

2924297099
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Hydrochloric acid-->Ethyl acetate-->Diethyl ether-->Magnesium sulfate-->1,4-Dioxane-->Glycine-->p-Toluoyl chloride-->5(4H)-Oxazolone, 2-(4-methylphenyl)--->N-(2-hydroxyethyl)-4-methylbenzamide-->Ethyl 2-[(4-methylbenzoyl)amino]acetate-->N-(Cyanomethyl)-4-methylbenzamide-->p-Toluic acid
Hazard InformationBack Directory
[Chemical Properties]

WHITE CRYSTALLINE POWDER
[Uses]

A substituted hippurate analog as substrate and inhibitor of peptidylglycine α-hydroxylating monooxygenase (PHM).
[Definition]

ChEBI: An N-acylglycine in which the acyl group is specified as 4-methylbenzoyl.
[General Description]

4-Methylhippuric acid is the major metabolite of xylene and has been determined in urine by gas chromatography.
Spectrum DetailBack Directory
[Spectrum Detail]

4-METHYLHIPPURIC ACID(27115-50-0)MS
4-METHYLHIPPURIC ACID(27115-50-0)1HNMR
4-METHYLHIPPURIC ACID(27115-50-0)IR1
4-METHYLHIPPURIC ACID(27115-50-0)IR2
4-METHYLHIPPURIC ACID(27115-50-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

27115-50-0(sigmaaldrich)
[TCI AMERICA]

N-(p-Toluoyl)glycine,>98.0%(LC)(T)(27115-50-0)
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