3-(3-Hydroxy-3-methylbut-1-ynyl)benzoic acid
- Product Name3-(3-Hydroxy-3-methylbut-1-ynyl)benzoic acid
- CAS878742-28-0
- CBNumberCB0789080
- MFC12H12O3
- MW204.22
- MDL NumberMFCD09037914
- MOL File878742-28-0.mol
Chemical Properties
| Boiling point | 389.2±27.0 °C(Predicted) |
| Density | 1.24±0.1 g/cm3(Predicted) |
| storage temp. | Store at Room Tem. |
| form | solid |
| pka | 3.96±0.10(Predicted) |
| InChI | 1S/C12H12O3/c1-12(2,15)7-6-9-4-3-5-10(8-9)11(13)14/h3-5,8,15H,1-2H3,(H,13,14) |
| InChIKey | VKXLALQKRXWOJK-UHFFFAOYSA-N |
| SMILES | CC(C)(O)C#Cc1cccc(c1)C(O)=O |
| UNSPSC Code | 12352106 |
| NACRES | NA.21 |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H302-H319 |
| Precautionary statements | P305+P351+P338 |
| Hazard Codes | Xn |
| Risk Statements | 22-36 |
| Safety Statements | 26 |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 |