2,5-Dimethyl-3-hexyne-2,5-diol
- Product Name2,5-Dimethyl-3-hexyne-2,5-diol
- CAS142-30-3
- CBNumberCB4722915
- MFC8H14O2
- MW142.2
- EINECS205-533-4
- MDL NumberMFCD00004468
- MOL File142-30-3.mol
Chemical Properties
| Melting point | 90-94 °C (lit.) |
| Boiling point | 121-123 °C/7 mmHg (lit.) |
| Density | 0,949 g/cm3 |
| vapor pressure | 0.025 hPa (40.3 °C) |
| refractive index | 1.4179 (estimate) |
| Flash point | 102°C |
| storage temp. | Store below +30°C. |
| solubility | 240g/l |
| form | Crystalline Flakes or Powder |
| pka | 12.91±0.29(Predicted) |
| color | White to light yellow |
| Water Solubility | 240 g/L (20 ºC) |
| BRN | 969835 |
| InChI | 1S/C8H14O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,1-4H3 |
| InChIKey | IHJUECRFYCQBMW-UHFFFAOYSA-N |
| SMILES | CC(C)(O)C#CC(C)(C)O |
| LogP | 0.81 at 25℃ |
| CAS DataBase Reference | 142-30-3(CAS DataBase Reference) |
Safety
| Symbol(GHS) |
 
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| Signal word | Danger | |||||||||
| Hazard statements | H317-H334 | |||||||||
| Precautionary statements | P280g-P302+P352a-P321-P333+P313-P501a-P272-P302+P352+P333+P313+P363-P501-P261-P280-P342+P311 | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 42/43 | |||||||||
| Safety Statements | 7-36-24/25 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | MR0176000 | |||||||||
| TSCA | TSCA listed | |||||||||
| HS Code | 29053980 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Eye Irrit. 2 | |||||||||
| Hazardous Substances Data | 142-30-3(Hazardous Substances Data) | |||||||||
| NFPA 704: |
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