HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Hex-4-en-3-on
(E)-hex-4-en-3-one · FEMA 3352 · 4-HEXENE-3-ONE · NSC 245483 · 4-HEXEN-3-ONE · 2-Hexen-4-one · hex-4-en-3-one · hexene-4-one-3
Identifikatoren & physikalische Daten
| CAS No. | 2497-21-4 |
|---|---|
| Summenformel | C6H10O |
| Durchschnittliche Molmasse | 98,14 g/mol |
| Monoisotopische Masse | 98,07316494 g/mol |
| SMILES | CC=CC(=O)CC |
| InChIKey | FEWIGMWODIRUJM-UHFFFAOYSA-N |
| PubChem CID | 17244 |
| ChEMBL | CHEMBL3186070 |
| EC No. | 219-681-2 |
| DTXSID | DTXSID4047670 |
| Lokaler Name | Hex-4-en-3-on |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 82,2 |
| SpringerMaterials Properties | Density |
| Schmelzpunkt | -71.05°C (estimate) |
| Siedepunkt | 135-137 °C (lit.) |
| Dichte | 0.858 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.44(lit.) |
| FEMA | 3352 | 4-HEXENE-3-ONE |
| Flammpunkt | 94 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Wichte | 0.855 |
| Geruch | at 1.00 % in propylene glycol. pungent ethereal spicy green tropical metallic |
| Geruchsart | acidic |
| Biologische Quelle | synthetic |
| JECFA Number | 1125 |
| InChI | 1S/C6H10O/c1-3-5-6(7)4-2/h3,5H,4H2,1-2H3/b5-3+ |
| InChIKey | FEWIGMWODIRUJM-HWKANZROSA-N |
| SMILES | CCC(=O)\C=C\C |
| LogP (Verteilungskoeffizient) | 1.09 |
| CAS Datenbank | 2497-21-4 |
| EPA chemische Informationen | 4-Hexen-3-one (2497-21-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1596 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (> 99.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1224 3/PG 3 |
| Zollcode | 29141990 |
| RTECS-Nr. | MP8659900 |
| R-Sätze (R) | 10-22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 16-26-36/37/39 |
| Gefahrenklasse | 3Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Beschreibung
4-Hexene-3-one may be synthesized by hydration of 4-hexen-2-yne aqueous H2S04/HgS04; by hydrogenation of 2-hexen-5-yn-4-one over PdCaC03 catalyst in methanol.
Occurrence
Reported found in cooked chicken, beef and pork
Herstellung & Synthese
synthetische
By hydration of 4-hexen-2-yne aqueous H2SO4-HgSO4; by hydrogenation of 2-hexen-5-yn-4-one over Pd-CaCO3 catalyst in methanol.