Crotonaldehyde, predominantly trans
ALDRICH/262668 - ≥99%, contains 0.1-0.2% BHT as stabilizer, 1% H2O as stabilizer
Synonym: (2E)-2-Butenal; (E)-But-2-en-1-al; 2(E)-Butenal; trans-2-Buten-1-al; trans-2-Butenal; trans-Crotonal
CAS Number: 123-73-9
Empirical Formula (Hill Notation): C4H6O
Molecular Weight: 70.09
MDL Number: MFCD00007003
Linear Formula: CH3CH=CHCHO
Product Type: Chemical
| assay | ≥99% |
| autoignition temp. | 320 °F |
| bp | 104 °C (lit.) |
| contains | 0.1-0.2% BHT as stabilizer |
| 1% H2O as stabilizer | |
| density | 0.846 g/mL at 25 °C (lit.) |
| expl. lim. | 19.5 % |
| form | liquid |
| InChI | 1S/C4H6O/c1-2-3-4-5/h2-4H |
| InChI key | MLUCVPSAIODCQM-NSCUHMNNSA |
| mp | −76 °C (lit.) |
| Quality Level | 200  |
| refractive index | n |
| SMILES string | [H]C(C)=C([H])C([H])=O |
| solubility | water: soluble 425.4 g/L at 20 °C |
| storage temp. | 2-8°C |
| vapor density | 2.41 (vs air) |
| vapor pressure | 32 mmHg ( 20 °C) |
| Application: | • Crotonaldehyde (Cis and Trans): Discusses the production and properties of crotonaldehyde, including trans isomer, via aldol condensation of acetaldehyde and catalytic methods (Grant & Jenkins, 2015  ).• Modeling, simulation and analysis of a process for the production of crotonaldehyde: Analyzes the production of crotonaldehyde, highlighting the stereoisomeric forms, including trans-crotonaldehyde (Scheithauer et al., 2016 ). |
| General description: | Rate coefficients for the reaction of crotonaldehyde with chlorine atoms have been determined. Reaction of crotonaldehyde with DNA has been investigated. |
| Packaging: | 1 L in Sure/Seal™ |
| Packaging: | 100 mL in Sure/Seal™ |
| Packaging: | 5 mL in glass bottle |
| Symbol |      GHS02,GHS05,GHS06,GHS08,GHS09 |
| Signal word | Danger |
| Hazard statements | H225 - H301 + H311 - H315 - H318 - H330 - H335 - H341 - H373 - H400 |
| Precautionary statements | P201 - P210 - P280 - P301 + P310 + P330 - P304 + P340 + P310 - P305 + P351 + P338 + P310 |
| Hazard Codes | F,T+,N |
| Risk Statements | 11-24/25-26-37/38-41-48/22-50-68 |
| Safety Statements | 16-26-28-36/37/39-45-61 |
| RIDADR | UN1143 - class 6.1 - PG 1 - Crotonaldehyde |
| WGK Germany | WGK 3 |
| Flash Point(F) | 48.2 °F - closed cup |
| Flash Point(C) | 9 °C - closed cup |
| Purity | ≥99% |
| bp | 104 °C (lit.) |
| mp | −76 °C (lit.) |
| Density | 0.846 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| Storage Temp. | 2-8°C |
| UNSPSC | 12352100 |