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Crotonaldehyd
2-BUTENAL · but-2-enal · BUTENAL · Crotonaldehyd · 2-CROTONALDEHYDE · buten-2-al · 2-BUTEN-1-AL · Krotonaldehyd
Identifikatoren & physikalische Daten
| CAS No. | 4170-30-3 |
|---|---|
| Summenformel | C4H6O |
| Durchschnittliche Molmasse | 70,09 g/mol |
| Monoisotopische Masse | 70,04186481 g/mol |
| SMILES | CC=CC=O |
| InChIKey | MLUCVPSAIODCQM-UHFFFAOYSA-N |
| PubChem CID | 20138 |
| ChEMBL | CHEMBL3561468 |
| DTXSID | DTXSID8024864 |
| Lokaler Name | Crotonaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 45,6 |
| SpringerMaterials Properties | Coriolis coupling |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | −76 °C(lit.) |
| Siedepunkt | 104 °C(lit.) |
| Dichte | 0.853 g/mL at 20 °C(lit.) |
| Dampfdichte | 2.41 (vs air) |
| Dampfdruck | 32 mm Hg ( 20 °C) |
| Brechungsindex | n20/D 1.437 |
| Flammpunkt | 48 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Miscible with alcohol, benzene, gasoline, kerosene, solvent naphtha, and toluene (Hawley, 1981)Soluble in water. (150g/L) at 20°C. |
| Aggregatzustand | Colorless liquid |
| Farbe | Colourless |
| Geruch | Pungent odor |
| Geruchsschwelle | 0.023ppm |
| Merck | 13,2624 |
| BRN | 1209254 |
| Henry-Konstante | 1.92 x 10-5 atmm3/mol (Buttery et al., 1971) |
| Stabilität | Air sensitive. Highly flammable. Readily forms explosive mixtures with air. May polymerize in the presence of acids, alkalies or amines. Uncontrolled polymerisation may lead to a rapid temperature rise. Incompatible with acids, bases, amines, strong oxidizing agents, butadiene, ketones, oxygen. May contain a stabilizer. |
| Kosmetik-Inhaltsstoffe Funktionen | ANTIOXIDANTPERFUMINGFRAGRANCE |
| LogP (Verteilungskoeffizient) | 0.6 at 25℃ |
| CAS Datenbank | 4170-30-3(CAS DataBase Reference) |
| EPA chemische Informationen | Crotonaldehyde (4170-30-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P203, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P320, P321, P330, P333+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Hazard Classes and Categories | Acute toxicity (Oral) - Category 3 |
| F | 9-13-23 |
| Berufliche Expositionsstufe (OEB) | B |
| Arbeitsplatzgrenzwert (OEL) | TWA: 2 ppm (6 mg/m3) (Aldehydes) |
| Wassergefährdungsklasse (WGK) | 3 |
| Sofort lebensgefährliche Konzentration | 50 ppm |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1143 |
| RTECS-Nr. | GP9625000 |
| R-Sätze (R) | 11-24/25-26-37/38-41-48/22-50-68 |
| Toxizität | LD50 orally in rats: 0.3 g/kg (Smyth, Carpenter) |
| Gefahrensymbole | F,T+,N |
| Sicherheitshinweise (S) | 26-28-36/37/39-45-61-16 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | I |
| Gefahrstoffdaten | 4170-30-3(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
Crotonaldehyde is used in organic synthesis, in the manufacture of butyl alcohol and butyraldehyde, and as a warning agent in fuel gases. It is also used in the manufacture of nbutanol and sorbic acid as well as in the production of flavoring agents, surface-active agents, textiles, and insecticidal compounds.