1,4-Cyclohexanedicarboxylic acid
- Product Name1,4-Cyclohexanedicarboxylic acid
- CAS1076-97-7
- MFC8H12O4
- MW172.18
- EINECS214-068-6
- MOL File1076-97-7.mol
Chemical Properties
| Melting point | 164-167 °C(lit.) |
| Boiling point | 262.49°C (rough estimate) |
| Density | 1.2104 (rough estimate) |
| refractive index | 1.4450 (estimate) |
| Flash point | 235°C |
| storage temp. | Sealed in dry,Room Temperature |
| form | Powder |
| pka | 4.38±0.10(Predicted) |
| color | White to off-white |
| Water Solubility | SOLUBLE |
| BRN | 1870377 |
| InChI | InChI=1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12) |
| InChIKey | PXGZQGDTEZPERC-UHFFFAOYSA-N |
| SMILES | C1(C(O)=O)CCC(C(O)=O)CC1 |
| CAS DataBase Reference | 1076-97-7(CAS DataBase Reference) |
| NIST Chemistry Reference | 1,4-Cyclohexanedicarboxylic acid(1076-97-7) |
| EPA Substance Registry System | 1,4-Cyclohexanedicarboxylic acid (1076-97-7) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 22-36 |
| Safety Statements | 26-36-24/25 |
| WGK Germany | 3 |
| RTECS | GU9060000 |
| TSCA | Yes |
| HS Code | 29172090 |
