3-Methyladipic acid
- Product Name3-Methyladipic acid
- CAS3058-01-3
- MFC7H12O4
- MW160.17
- EINECS221-293-3
- MOL File3058-01-3.mol
Chemical Properties
| Melting point | 100-102 °C (lit.) |
| Boiling point | 230 °C/30 mmHg (lit.) |
| Density | 1.197 |
| refractive index | 1.4336 (estimate) |
| Flash point | 171 °C |
| storage temp. | Store at -20°C |
| solubility | DMF: 14 mg/ml; DMSO: 12 mg/ml; Ethanol: 5 mg/ml; PBS (pH 7.2): 5 mg/ml |
| form | powder to crystal |
| pka | 4.66±0.10(Predicted) |
| color | White to Almost white |
| Water Solubility | 198.7g/L(25.9 ºC) |
| InChI | 1S/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11) |
| InChIKey | SYEOWUNSTUDKGM-UHFFFAOYSA-N |
| SMILES | CC(CCC(O)=O)CC(O)=O |
| CAS DataBase Reference | 3058-01-3(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36/37 |
| WGK Germany | 3 |
| HS Code | 29171990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |