3-Methylhippuric acid
Synonym(s):m-Toluric acid;N-(3-Methylbenzoyl)glycine
- CAS NO.：27115-49-7
- Empirical Formula: C10H11NO3
- Molecular Weight: 193.2
- MDL number: MFCD00044399
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-09-12 18:56:28
What is 3-Methylhippuric acid?
Chemical properties
WHITE CRYSTALLINE POWDER
The Uses of 3-Methylhippuric acid
3-Methylhippuric acid was employed as biological marker in studies on occupational exposure to xylene (solvent).
The Uses of 3-Methylhippuric acid
Α substituted hippurate analog as substrates and inhibitor of peptidylglycine α-hydroxylating monooxygenase (PHM).
Definition
ChEBI: An N-acylglycine that is the 3-methyl derivative of hippuric acid.
General Description
3-Methylhippuric acid is also referred as m-methyl-hippuric acid. It is major product of xylene biotransformation in urine.
Properties of 3-Methylhippuric acid
| Melting point: | 138-140 °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 | 3.71±0.10(Predicted) |
| color | White to Off-White |
| CAS DataBase Reference | 27115-49-7(CAS DataBase Reference) |
Safety information for 3-Methylhippuric acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H317:Sensitisation, Skin H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 3-Methylhippuric acid
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