3-Ethoxy-4-ethoxycarbonyl phenylacetic acid
- Product Name3-Ethoxy-4-ethoxycarbonyl phenylacetic acid
- CAS99469-99-5
- CBNumberCB3505788
- MFC13H16O5
- MW252.26
- EINECS427-630-2
- MDL NumberMFCD08704233
- MOL File99469-99-5.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 78-80°C |
| Boiling point | 414.8±35.0 °C(Predicted) |
| Density | 1.191 |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| pka | 3.96±0.10(Predicted) |
| color | White to Off-White |
| Major Application | pharmaceutical (small molecule) |
| InChI | InChI=1S/C13H16O5/c1-3-17-11-7-9(8-12(14)15)5-6-10(11)13(16)18-4-2/h5-7H,3-4,8H2,1-2H3,(H,14,15) |
| InChIKey | OTGSESBEJUHCES-UHFFFAOYSA-N |
| SMILES | C1(CC(O)=O)=CC=C(C(OCC)=O)C(OCC)=C1 |
| CAS DataBase Reference | 99469-99-5(CAS DataBase Reference) |
| FDA UNII | GG6C71LIOD |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
Safety
| Symbol(GHS) |
|
| Signal word | Danger |
| Hazard statements | H318 |
| Precautionary statements | P280-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | 41 |
| Safety Statements | 26-39 |
| RIDADR | UN3261 |
| WGK Germany | WGK 3 |
| HazardClass | 8 |
| HS Code | 2918992090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Dam. 1 |
