HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Hex-5-en-2-on
hex-5-en-2-one · 5-HEXEN-2-ONE · 1-Hexen-5-one · hex-5- · hex-5-en-2 · ALLYLACETONE · 5-HEXENE-2-ONE · 5-Hexen-2-one>5-Hexen-2-one 99%
Identifikatoren & physikalische Daten
| CAS No. | 109-49-9 |
|---|---|
| Summenformel | C6H10O |
| Durchschnittliche Molmasse | 98,14 g/mol |
| Monoisotopische Masse | 98,07316494 g/mol |
| SMILES | C=CCCC(C)=O |
| InChIKey | RNDVGJZUHCKENF-UHFFFAOYSA-N |
| PubChem CID | 7989 |
| ChEBI | CHEBI:179653 |
| EC No. | 203-675-1 |
| DTXSID | DTXSID0059372 |
| Lokaler Name | Hex-5-en-2-on |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 74,2 |
| Lipide | Fatty Acyls [FA] -> Oxygenated hydrocarbons [FA12] |
| SpringerMaterials Properties | Boiling point |
| Duftstoffe | Fragrance Ingredient (5-Hexen-2-one) -> IFRA transparency List |
| LogP (Verteilungskoeffizient) | 1.02 |
| Aromastoffe | EU Flavoring substances |
| Schmelzpunkt | -71.05°C (estimate) |
| Siedepunkt | 128-129 °C(lit.) |
| Dichte | 0.847 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.419(lit.) |
| Flammpunkt | 75 °F |
| Lagerbedingungen | Flammables area |
| Aggregatzustand | clear liquid |
| Wichte | 0.847 |
| Farbe | Colorless to Light yellow to Light orange |
| Geruch | at 100.00 %. ethereal floral |
| Geruchsart | ethereal |
| Löslichkeit | Soluble in water. |
| BRN | 1699137 |
| Hauptanwendungen | flavors and fragrances |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C6H10O/c1-3-4-5-6(2)7/h3H,1,4-5H2,2H3 |
| InChIKey | RNDVGJZUHCKENF-UHFFFAOYSA-N |
| SMILES | CC(=O)CCC=C |
| LogP (Verteilungskoeffizient) | 1.020 |
| CAS Datenbank | 109-49-9(CAS DataBase Reference) |
| EPA chemische Informationen | 5-Hexen-2-one (109-49-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.8% (11 of 1435) of reports.WarningH226 (99.2%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1435 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 5-Hexen-2-oneCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)5-Hexen-2-one: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - 5-Hexen-2-one: Human health tier I assessment |
| Hazard Classes and Categories | Flam. Liq. 3 (99.2%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1224 3/PG 3 |
| Zollcode | 29141990 |
| R-Sätze (R) | 10 |
| Sicherheitshinweise (S) | 23-24/25 |
| Gefahrenklasse | 3Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Intermediate in pharmaceutical synthesis, perfumes, fungicides, insecticides, fine chemicals.