2,2-Diethyl-1,3-propanediol
- Product Name2,2-Diethyl-1,3-propanediol
- CAS115-76-4
- MFC7H16O2
- MW132.2
- EINECS204-103-3
- MOL File115-76-4.mol
Chemical Properties
| Melting point | 59-61 °C(lit.) |
| Boiling point | 160 °C (50 mmHg) |
| Density | 0.9500 |
| refractive index | 1.4574 |
| Flash point | 102 °C |
| pka | 14.52±0.10(Predicted) |
| form | solid |
| color | Colorless to off-white |
| Henry's Law Constant | 2.0×104 mol/(m3Pa) at 25℃, Saxena and Hildemann (1996) |
| InChI | 1S/C7H16O2/c1-3-7(4-2,5-8)6-9/h8-9H,3-6H2,1-2H3 |
| InChIKey | XRVCFZPJAHWYTB-UHFFFAOYSA-N |
| SMILES | CCC(CC)(CO)CO |
| CAS DataBase Reference | 115-76-4(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 22-36 |
| Safety Statements | 26 |
| WGK Germany | 2 |
| RTECS | TY5250000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 |
