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| IUPAC Name: | 3-methylbut-2-enal |
| Description: | 3-Methylcrotonaldehyde (CAS# 107-86-8) is used in the preparation of Paclitaxel (P132500) derivatives. |
| Molecular Weight: | 84.12 |
| Molecular Formula: | C5H8O |
| Canonical SMILES: | CC(=CC=O)C |
| InChI: | InChI=1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3 |
| InChI Key: | SEPQTYODOKLVSB-UHFFFAOYSA-N |
| Boiling Point: | 132-133 °C |
| Melting Point: | -20 °C |
| Flash Point: | 33°C |
| Purity: | 97 % |
| Density: | 0.88 g/cm3 |
| Solubility: | Water : 110 g/L at 20 °C (68 °F); |
| Appearance: | Clear colorless to light yellow liquid |
| Storage: | 2-8 °C |
| MDL: | MFCD00010291 |
| LogP: | 1.15150 |
| Refractive Index: | 1.461-1.463 |
| Stability: | Stable at normal temperatures and pressures. |
| Vapor Pressure: | 5.6 [mmHg] |
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(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
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