492-38-6
| Name | Atropic acid |
| CAS | 492-38-6 |
| EINECS(EC#) | 207-753-6 |
| Molecular Formula | C9H8O2 |
| MDL Number | MFCD00046531 |
| Molecular Weight | 148.16 |
| MOL File | 492-38-6.mol |
Chemical Properties
| Melting point | 106-107° |
| Boiling point | bp ~267° with partial decompn |
| density | 1.0061 (rough estimate) |
| refractive index | 1.5049 (estimate) |
| storage temp. | Sealed in dry,2-8°C |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 3.86±0.11(Predicted) |
| color | White to Off-White |
| Water Solubility | 1.3g/L(20 ºC) |
| Merck | 14,874 |
| Stability: | Light Sensitive |
| Major Application | pharmaceutical pharmaceutical small molecule |
| InChI | 1S/C9H8O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-6H,1H2,(H,10,11) |
| InChIKey | ONPJWQSDZCGSQM-UHFFFAOYSA-N |
| SMILES | OC(=O)C(=C)c1ccccc1 |
| CAS DataBase Reference | 492-38-6(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzeneacetic acid, «alpha»-methylene-(492-38-6) |
| EPA Substance Registry System | 492-38-6(EPA Substance) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319 |
| Precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | WGK 3 |
| REACH Registrations | Active |
| HS Code | 29163990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
