3-Methylcrotonaldehyde
ALDRICH/304077 - 97%
Synonym: 3,3-Dimethylacrolein; 3,3-
CAS Number: 107-86-8
Empirical Formula (Hill Notation): C5H8O
Molecular Weight: 84.12
EC Number: 203-527-6
MDL Number: MFCD00010291
Linear Formula: (CH3)2C=CHCHO
Product Type: Chemical
FT-IR Spectra for 3,3-Dimethylacrolein.
FT-NMR Spectra for 3,3-Dimethylacrolein.
| assay | 97% |
| bp | 133-135 °C (lit.) |
| density | 0.872 g/mL at 25 °C (lit.) |
| 0.878 g/mL at 20 °C | |
| form | liquid |
| InChI | 1S/C5H8O/c1-5(2)3-4-6/h3- |
| InChI key | SEPQTYODOKLVSB-UHFFFAOYSA |
| Quality Level | 100  |
| refractive index | n |
| n |
|
| SMILES string | [H]C(=O)C=C(C)C |
| solubility | water: soluble 110 g/L at 20 °C |
| storage temp. | 2-8°C |
| vapor pressure | 7 mmHg ( 20 °C) |
| General description: | 3-Methylcrotonaldehyde is an α, β-unsaturated aldehyde. Electrochemical dimerization of 3-methylcrotonaldehyde was reported. The hydrogenation of 3-methylcrotonaldehyde over Ru, Pt and Rh was investigated. |
| Packaging: | 5, 25 mL in glass bottle |
| Symbol |    GHS02,GHS05,GHS06 |
| Signal word | Danger |
| Hazard statements | H226 - H302 - H314 - H317 - H331 |
| Precautionary statements | P210 - P280 - P301 + P330 + P331 - P303 + P361 + P353 - P304 + P340 + P311 - P305 + P351 + P338 |
| Hazard Codes | C |
| Risk Statements | 10-20/22-34-43 |
| Safety Statements | 26-36/37/39-45 |
| RIDADR | UN 2920 3(8) / PGII |
| WGK Germany | WGK 2 |
| Flash Point(F) | 91.4 °F - closed cup |
| Flash Point(C) | 33 °C - closed cup |
| Purity | 97% |
| bp | 133-135 °C (lit.) |
| Density | 0.878 g/mL at 20 °C; 0.872 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| Storage Temp. | 2-8°C |
| UNSPSC | 12352100 |