563-45-1
| Name | 3-Methyl-1-butene |
| CAS | 563-45-1 |
| EINECS(EC#) | 209-249-1 |
| Molecular Formula | C5H10 |
| MDL Number | MFCD00008937 |
| Molecular Weight | 70.13 |
| MOL File | 563-45-1.mol |
Chemical Properties
| Appearance | Colorless, extremely volatile liquid or gas; disagreeable odor.Soluble in alcohol; insoluble in water. |
| Melting point | -168 °C |
| Boiling point | 20 °C(lit.) |
| density | 0.627 g/mL at 20 °C(lit.) |
| vapor pressure | 14.97 psi ( 20 °C) |
| refractive index | n |
| Fp | -57 °C |
| storage temp. | −20°C |
| solubility | Soluble in alcohol, benzene, and ether (Weast, 1986) |
| form | neat |
| pka | >14 (Schwarzenbach et al., 1993) |
| color | Colorless to Almost colorless |
| Water Solubility | 130 mg/kg at 25 °C (shake flask-GC, McAuliffe, 1966) |
| Specific Heat Capacity | Cp(liquid):156.1J/(g·K),at 25℃ |
| BRN | 505980 |
| Henry's Law Constant | (atm?m3/mol): 0.535 at 25 °C (Hine and Mookerjee, 1975) |
| InChI | 1S/C5H10/c1-4-5(2)3/h4-5H,1H2,2-3H3 |
| InChIKey | YHQXBTXEYZIYOV-UHFFFAOYSA-N |
| SMILES | CC(C)C=C |
Safety Data
| Hazard Codes | F+,Xn |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2561 3/PG 1 |
| WGK Germany | 3 |
| F | 4.5-31 |
| TSCA | TSCA listed |
| HazardClass | 3.1 |
| PackingGroup | I |
| HS Code | 2901290000 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Aquatic Chronic 2 Asp. Tox. 1 Flam. Liq. 1 STOT SE 3 |
| Safety Profile | |
| Hazardous Substances Data | 563-45-1(Hazardous Substances Data) |