HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Oct-1-en-3-on
OCT-1-EN-3-ONE · 1-octene-3-one · VINYL AMYL KETONE · FEMA 3515 · Pentyl vinyl ketone · -octen-3-one · 1-OCTEN-3-ONE · 1-OCLen-3-one
Identifikatoren & physikalische Daten
| CAS No. | 4312-99-6 |
|---|---|
| Summenformel | C8H14O |
| Durchschnittliche Molmasse | 126,2 g/mol |
| Monoisotopische Masse | 126,10446507 g/mol |
| SMILES | C=CC(=O)CCCCC |
| InChIKey | KLTVSWGXIAYTHO-UHFFFAOYSA-N |
| PubChem CID | 61346 |
| ChEMBL | CHEMBL3186486 |
| ChEBI | CHEBI:88900 |
| EC No. | 224-327-5 |
| DTXSID | DTXSID5047162 |
| Lokaler Name | Oct-1-en-3-on |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 94,7 |
| Stoffklassen | Other Classes -> Aliphatic Ketones, Other |
| Lipide | Fatty Acyls [FA] -> Oxygenated hydrocarbons [FA12] |
| Duftstoffe | Fragrance Ingredient (1-Octen-3-one) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.813-0.8190.833 g/mL at 25 °C |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | insoluble in watermiscible in oilsMiscible at room temperature (in ethanol)Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| Siedepunkt | 59.00 to 60.00 °C. @ 16.00 mm Hg37-38 °C (1.9-2.3 mm Hg)174-182 °C |
| Brechungsindex | 1.428-1.439n20/D 1.4359 |
| Physical Description | Colorless liquid[Alfa Aesar MSDS]Colourless liquidmushroom odour |
| FEMA | 3515 | 1-OCTEN-3-ONE |
| Flammpunkt | 145 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Oil |
| Farbe | Colourless |
| Geruch | at 1.00 % in dipropylene glycol. herbal mushroom earthy musty dirty |
| Geruchsart | earthy |
| Biologische Quelle | synthetic |
| JECFA Number | 1148 |
| BRN | 1700905 |
| Stabilität | Light Sensitive |
| InChI | 1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3 |
| InChIKey | KLTVSWGXIAYTHO-UHFFFAOYSA-N |
| SMILES | CCCCCC(=O)C=C |
| LogP (Verteilungskoeffizient) | 2.17 |
| CAS Datenbank | 4312-99-6(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Octen-3-one(4312-99-6) |
| EPA chemische Informationen | 1-Octen-3-one (4312-99-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.2%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1594 reports by companies from 7 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 1-Octen-3-oneRegulation (EC) No 1831/2003 (amended)1-Octen-3-one: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Safe when used as a flavoring agent in food[JECFA] May polymerizeA skin and strong eye irritant[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (97.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2810 6.1/PG 3 |
| Zollcode | 29142990 |
| R-Sätze (R) | 22-36/37/38-52/53-36/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36-61 |
| Gefahrenklasse | 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Occurrence
Reported found in cooked artichoke, cider, fish, matsutake, milk, peas, soya bean, mushrooms, potatoes, orange juice, tomato and passion fruit.
Verwenden
1-Octen-3-one is a volatile unsaturated ketone that has a strong mushroom-like odour. 1-Octen-3-one is also a flavour component of the Agaricus bisporus mushroom and is used in a variety of food products.