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| Classification | Chemical reagent >> Organic reagent >> Olefins (cyclic and non-cyclic) |
|---|---|
| Name | 3-Methyl-1,2-Butadiene |
| Synonyms | Inchi=1/C5h8/C1-4-5(2)3/H1h2,2-3H; 110930_Aldrich |
| Molecular Structure |  |
| Molecular Formula | C5H8 |
| Molecular Weight | 68.12 |
| CAS Registry Number | 598-25-4 |
| EINECS | 209-926-1 |
| SMILES | C[C](=[C]=[CH2])C |
| InChI | 1S/C5H8/c1-4-5(2)3/h1H2,2-3H3 |
| InChIKey | PAKGDPSCXSUALC-UHFFFAOYSA-N |
| Density | 0.694 (Expl.) |
|---|---|
| 0.7±0.1g/cm3 (Cal.) | |
| Melting point | -114°C (Expl.) |
| Boiling point | 43.3±7.0°C at 760 mmHg (Cal.) |
| 40-41°C (Expl.) | |
| Flash point | -12°C (Expl.) |
| -12.222°C (Cal.) | |
| Refractive index | 1.419 (Expl.) |
| Safety Code | S26;S37 Details |
|---|---|
| Risk Code | R11;R36/37/38;R65 Details |
| Hazard Symbol |   X;F Details |
| Transport Information | UN3295 |
| Safety Description | DANGER: FLAMMABLE, irritates skin, eyes, lungs |
| FLAMMABLE / IRRITANT | |
| SDS | Available |
| (1) | Benito Alcaide, Pedro Almendros and Cristina Aragoncillo. Exploiting [2+2] cycloaddition chemistry: achievements with allenes, Chem. Soc. Rev., 2010, 39, 783. |
|---|---|
| Market Analysis Reports |
| List of Reports Available for 3-Methyl-1,2-Butadiene |