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| | 3-METHYLHIPPURIC ACID Basic information |
| | 3-METHYLHIPPURIC ACID Chemical Properties |
| 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 | | 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) | | InChIKey | YKAKNMHEIJUKEX-UHFFFAOYSA-N | | SMILES | Cc1cccc(c1)C(=O)NCC(O)=O | | CAS DataBase Reference | 27115-49-7(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 37/39-26 | | WGK Germany | 3 | | HS Code | 29225000 | | Storage Class | 11 - Combustible Solids |
| | 3-METHYLHIPPURIC ACID Usage And Synthesis |
| Chemical Properties | WHITE CRYSTALLINE POWDER | | Uses | Α substituted hippurate analog as substrates and inhibitor of peptidylglycine α-hydroxylating monooxygenase (PHM). | | Uses | 3-Methylhippuric acid was employed as biological marker in studies on occupational exposure to xylene (solvent). | | 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. |
| | 3-METHYLHIPPURIC ACID Preparation Products And Raw materials |
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