
3971-31-1
| Name | 1,3-Cyclohexanedicarboxylic acid |
| CAS | 3971-31-1 |
| EINECS(EC#) | 432-490-0 |
| Molecular Formula | C8H12O4 |
| MDL Number | MFCD00134411 |
| Molecular Weight | 172.18 |
| MOL File | 3971-31-1.mol |
Chemical Properties
| Melting point | 132-141 °C(lit.) |
| Boiling point | 332.4±25.0 °C(Predicted) |
| density | 1.314±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | soluble in Methanol |
| form | powder to crystal |
| pka | 4.32±0.13(Predicted) |
| color | White to Almost white |
| InChI | InChI=1S/C8H12O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12) |
| InChIKey | XBZSBBLNHFMTEB-UHFFFAOYSA-N |
| SMILES | C1(C(O)=O)CCCC(C(O)=O)C1 |
| CAS DataBase Reference | 3971-31-1(CAS DataBase Reference) |
| EPA Substance Registry System | 3971-31-1(EPA Substance) |
Safety Data
| Symbol(GHS) | ![]() GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| REACH Registrations | Inactive |
| HS Code | 29172090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
