4-Hydroxy-3-methoxymandelic acid
- Product Name4-Hydroxy-3-methoxymandelic acid
- CAS55-10-7
- MFC9H10O5
- MW198.17
- EINECS200-224-0
- MOL File55-10-7.mol
Chemical Properties
| Melting point | 132-134 °C (dec.)(lit.) |
| Boiling point | 255.48°C (rough estimate) |
| Density | 1.2539 (rough estimate) |
| refractive index | 1.4570 (estimate) |
| FEMA | 4660 | HYDROXY(4-HYDROXY-3-METHOXYPHENYL)ACETIC ACID |
| storage temp. | 2-8°C |
| solubility | H2O: ~50 mg/mL |
| form | powder |
| pka | 3.42±0.10(Predicted) |
| color | white to off-white |
| Water Solubility | freely soluble |
| Merck | 14,9933 |
| JECFA Number | 2020 |
| BRN | 2213227 |
| Major Application | clinical testing |
| InChI | 1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13) |
| InChIKey | CGQCWMIAEPEHNQ-UHFFFAOYSA-N |
| SMILES | OC1=C(OC)C=C(C(O)C(O)=O)C=C1 |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36-37/39 |
| WGK Germany | 3 |
| F | 10-23 |
| TSCA | TSCA listed |
| HS Code | 29181998 |
| Storage Class | 11 - Combustible Solids |
