3-Ethyl-3-pentanol
- Product Name3-Ethyl-3-pentanol
- CAS597-49-9
- MFC7H16O
- MW116.2
- EINECS209-902-0
- MOL File597-49-9.mol
Chemical Properties
| Melting point | -12.5 °C |
| Boiling point | 140–142 °C (284–288 °F; 413–415 K) |
| Density | 0.82 g/cm3 |
| refractive index | 1.43 |
| Flash point | 40 °C |
| storage temp. | Flammables area |
| pka | 15.38±0.29(Predicted) |
| form | Clear liquid |
| color | Colorless to Almost colorless |
| Water Solubility | Slightly soluble in water. Soluble in alcohol. |
| BRN | 1731643 |
| Henry's Law Constant | 3.0×10-1 mol/(m3Pa) at 25℃, Plyasunov and Shock (2000) |
| InChI | 1S/C7H16O/c1-4-7(8,5-2)6-3/h8H,4-6H2,1-3H3 |
| InChIKey | XKIRHOWVQWCYBT-UHFFFAOYSA-N |
| SMILES | CCC(O)(CC)CC |
| LogP | 2.113 (est) |
| CAS DataBase Reference | 597-49-9(CAS DataBase Reference) |
| EPA Substance Registry System | 3-Pentanol, 3-ethyl- (597-49-9) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 10-41-37/38-22 |
| Safety Statements | 16-39-26 |
| RIDADR | UN 1987 3/PG 3 |
| WGK Germany | 3 |
| RTECS | SA6780000 |
| TSCA | TSCA listed |
| HS Code | 2905.19.9090 |
| HazardClass | 3 |
| PackingGroup | III |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Flam. Liq. 3 |
| Toxicity | LD50 scu-mus: 700 mg/kg ARZNAD 5,161,55 |
