HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Ethyl-2-hydroxy-4-methylcyclopent-2-en-1-on
3-ETHYL-4-METHYL CYCLOTENE · 4-Methyl-3-ethylcyclopentane-1,2-dione, 98% · 3-ETHYL-2-HYDROXY-4-METHYL-2-CYCLOPENTEN-1-ON · 3-Ethyl-2-hydroxy-4-methyl-2-cyclopenten-1-one · 3-ethyl-2-hydroxy-4-methylcyclopent-2-en-1-one · 3-Ethyl-2-hyudroxy-4-methylcyclopent-2-en-1-one · 2-Hydroxy-3-ethyl-4-methyl-2-cyclopentene-1-one · 2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-4-methyl-
Identifikatoren & physikalische Daten
| CAS No. | 42348-12-9 |
|---|---|
| Summenformel | C8H12O2 |
| Durchschnittliche Molmasse | 140,18 g/mol |
| Monoisotopische Masse | 140,08372962 g/mol |
| SMILES | CCC1=C(O)C(=O)CC1C |
| InChIKey | RSVAFMGHIDKYKB-UHFFFAOYSA-N |
| PubChem CID | 528698 |
| ChEBI | CHEBI:185027 |
| EC No. | 255-767-6 |
| DTXSID | DTXSID50885864 |
| Lokaler Name | 3-Ethyl-2-hydroxy-4-methylcyclopent-2-en-1-on |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 191 |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 1.055-1.0611.086±0.06 g/cm3(Predicted) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | slightlyslightly insoluble in watersoluble in fatmiscible with ethanol(in ethanol) |
| Siedepunkt | 260.00 to 261.00 °C. @ 760.00 mm Hg260.5±40.0 °C(Predicted) |
| Brechungsindex | 1.481-1.487 |
| FEMA | 3453 | 3-ETHYL-2-HYDROXY-4-METHYLCYCLOPENT-2-EN-1-ONE |
| pKa (Säurekonstante) | 9.18±0.40(Predicted) |
| Geruch | at 0.10 % in dipropylene glycol. sweet maple |
| Geruchsart | caramellic |
| JECFA Number | 422 |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| LogP (Verteilungskoeffizient) | 1.33 |
| EPA chemische Informationen | 2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-4-methyl- (42348-12-9) |
Sicherheit & Vorschriften
| Regulatorische Informationen | Chemical: 2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-4-methyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-4-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
|---|---|
| Weitere Sicherheitsinformationen | IMAP assessments - 2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-4-methyl-: Environment tier I assessment |
| TSCA-Inventar-Status | TSCA listed |
Anwendungen & Verwendung
Occurrence
Reported found in coffee.