21210-43-5
| Name | (S)-(+)-Methyl mandelate |
| CAS | 21210-43-5 |
| EINECS(EC#) | 145-896-5 |
| Molecular Formula | C9H10O3 |
| MDL Number | MFCD00064246 |
| Molecular Weight | 166.17 |
| MOL File | 21210-43-5.mol |
Chemical Properties
| Appearance | white crystalline powder |
| Melting point | 56-58 °C |
| alpha | 142 º (c=2, MeOH) |
| Boiling point | 138 °C / 16mmHg |
| density | 1.1097 (rough estimate) |
| refractive index | 1.4371 (estimate) |
| Fp | >110°C |
| storage temp. | 2-8°C |
| solubility | Chloroform (Sparingly), Methanol (Sparingly) |
| form | Solid |
| pka | 12.19±0.20(Predicted) |
| color | White to Off-White |
| Optical Rotation | [α]20/D +144°, c = 1 in methanol |
| Detection Methods | HPLC,NMR,Rotation |
| BRN | 2614741 |
| InChI | 1S/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3/t8-/m0/s1 |
| InChIKey | ITATYELQCJRCCK-QMMMGPOBSA-N |
| SMILES | COC(=O)[C@@H](O)c1ccccc1 |
| CAS DataBase Reference | 21210-43-5(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
| Safety Statements | |
| WGK Germany | 3 |
| HS Code | 29181990 |
| Storage Class | 11 - Combustible Solids |
