HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 42296Erstellt: 27. Oktober 2026
1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-2-buten-1-on
δ-Damascone · a-Damascone · 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-2-buten-1-one · δ-Damaone · γ-Damascone · Butane turkone · δ-Damascone DISCONTINUED · Delta Damascone USP/EP/BP
https://huagongshe.com/de/chemical/42296
Identifikatoren & physikalische Daten
| CAS No. | 57378-68-4 |
|---|
| Summenformel | C13H20O |
|---|
| Durchschnittliche Molmasse | 192,3 g/mol |
|---|
| Monoisotopische Masse | 192,15141526 g/mol |
|---|
| SMILES | CC=CC(=O)C1C(C)C=CCC1(C)C |
|---|
| InChIKey | XEJGJTYRUWUFFD-UHFFFAOYSA-N |
|---|
| PubChem CID | 42296 |
|---|
| EC No. | 275-156-8 |
|---|
| DTXSID | DTXSID2052235 |
|---|
| Lokaler Name | 1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-2-buten-1-on |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|
| Polarare Oberfläche (TPSA) | 17,1 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 1 |
|---|
| Frei drehbare Bindungen | 2 |
|---|
| Schwere Atome | 14 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 271 |
|---|
| Siedepunkt | 253 °C |
|---|
| Dichte | 0.890±0.06 g/cm3(Predicted) |
|---|
| Brechungsindex | n20/D 1.490-1.500 |
|---|
| FEMA | 3622 | DELTA-1-(2,6,6-TRIMETHYL-3-CYCLOHEXEN-1-YL)-2-BUTEN-1-ONE |
|---|
| Geruch | at 10.00 % in dipropylene glycol. fruity sweet rose natural petal cassis black currant tobacco |
|---|
| Geruchsart | floral |
|---|
| JECFA Number | 386 |
|---|
| Hauptanwendungen | cleaning productscosmeticsflavors and fragrancesfood and beveragespersonal care |
|---|
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMINGFRAGRANCE |
|---|
| InChI | 1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8,10,12H,9H2,1-4H3 |
|---|
| InChIKey | XEJGJTYRUWUFFD-UHFFFAOYSA-N |
|---|
| SMILES | CC1C(C(C=CC)=O)C(C)(C)CC=C1 |
|---|
| LogP (Verteilungskoeffizient) | 3.91 |
|---|
| EPA chemische Informationen | 2-Buten-1-one, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)- (57378-68-4) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (65.7%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (65.7%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]H400 (45.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (99.4%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 178 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|
| Regulatorische Informationen | Status: Active Update: 01-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/16254 |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (65.7%)Skin Irrit. 2 (65.7%)Skin Sens. 1A (100%)Aquatic Acute 1 (45.5%)Aquatic Chronic 1 (99.4%) |
|---|
| Wassergefährdungsklasse (WGK) | WGK 3 |
|---|
| TSCA-Inventar-Status | TSCA listed |
|---|
| Zollcode | 2914299000 |
|---|
| Lagerklasse | 10 - Combustible liquids |
|---|
| Gefahrenklasse | Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Skin Irrit. 2Skin Sens. 1 |
|---|
