Crotonyl alcohol
- Product NameCrotonyl alcohol
- CAS6117-91-5
- MFC4H8O
- MW72.11
- EINECS228-086-7
- MOL File6117-91-5.mol
Chemical Properties
| Melting point | -91.3°C (estimate) |
| Boiling point | 121-122 °C(lit.) |
| Density | 0.845 g/mL at 25 °C(lit.) |
| refractive index | n |
| Flash point | 37 °C |
| storage temp. | Flammables area |
| solubility | Chloroform (Sparingly), DMSO (Slightly), Methanol (Slightly) |
| form | clear liquid |
| pka | 14.70±0.10(Predicted) |
| color | Colorless to Almost colorless |
| Water Solubility | Miscible with water. |
| Merck | 14,2601 |
| BRN | 1719374 |
| Henry's Law Constant | 3.1×100 mol/(m3Pa) at 25℃, Raventos-Duran et al. (2010) |
| InChI | 1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2+ |
| InChIKey | WCASXYBKJHWFMY-NSCUHMNNSA-N |
| SMILES | C\C=C\CO |
| LogP | 0.636 (est) |
Safety Information
| Hazard Codes | Xn,F |
| Risk Statements | 10-21/22 |
| Safety Statements | 36/37 |
| RIDADR | UN 1987 3/PG 3 |
| WGK Germany | 3 |
| RTECS | EM9275000 |
| Hazard Note | Harmful/Highly Flammable |
| TSCA | TSCA listed |
| HazardClass | 3 |
| PackingGroup | II |
| HS Code | 29052900 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Oral Flam. Liq. 3 |
| Toxicity | LD50 orally in rats: 0.93 ml/kg (Smyth) |
