1,3-PHENYLENEDIACETIC ACID
- Product Name1,3-PHENYLENEDIACETIC ACID
- CAS19806-17-8
- MFC10H10O4
- MW194.18
- EINECS243-332-3
- MOL File19806-17-8.mol
Chemical Properties
| Melting point | 175-177 °C (lit.) |
| Boiling point | 290.62°C (rough estimate) |
| Density | 1.2534 (rough estimate) |
| refractive index | 1.5430 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| form | Fine Crystalline Powder |
| pka | 3.93±0.10(Predicted) |
| color | White to light yellow |
| Water Solubility | Slightly soluble in water. Solublitiy in methanol is almost transparency. |
| BRN | 2616749 |
| InChI | InChI=1S/C10H10O4/c11-9(12)5-7-2-1-3-8(4-7)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14) |
| InChIKey | GDYYIJNDPMFMTB-UHFFFAOYSA-N |
| SMILES | C1(CC(O)=O)=CC=CC(CC(O)=O)=C1 |
| CAS DataBase Reference | 19806-17-8(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-37/39 |
| WGK Germany | 3 |
| RTECS | AJ2780000 |
| HS Code | 29173990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Toxicity | mouse,LD50,intravenous,178mg/kg (178mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00636, |