Methyl DL-mandelate
- Product NameMethyl DL-mandelate
- CAS4358-87-6
- MFC9H10O3
- MW166.18
- EINECS224-434-7
- MOL File4358-87-6.mol
Chemical Properties
| Melting point | 54-56 °C (lit.) |
| Boiling point | 135 °C/12 mmHg (lit.) |
| Density | 1.1756 |
| refractive index | 1.5351 (estimate) |
| Flash point | >230 °F |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | methanol: 0.1 g/mL, clear |
| form | Solid |
| pka | 12.19±0.20(Predicted) |
| color | White to Off-White |
| BRN | 2047558 |
| InChI | 1S/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3 |
| InChIKey | ITATYELQCJRCCK-UHFFFAOYSA-N |
| SMILES | COC(=O)C(O)c1ccccc1 |
| CAS DataBase Reference | 4358-87-6(CAS DataBase Reference) |
| NIST Chemistry Reference | Methyl mandelate(4358-87-6) |
| EPA Substance Registry System | Benzeneacetic acid, .alpha.-hydroxy-, methyl ester (4358-87-6) |
Safety Information
| Safety Statements | 22-24/25 |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HS Code | 29181980 |
| Storage Class | 11 - Combustible Solids |
