HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Pin-2-en-4-on
VERBENONE · Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1S)- · 1-VERBENONE · Verbenone,(l) · [S]-VERBENONE · (S)-Verbanone · (-)-Verbenone · pin-2-en-4-one
Identifikatoren & physikalische Daten
| CAS No. | 1196-01-6 |
|---|---|
| Summenformel | C10H14O |
| Durchschnittliche Molmasse | 150,22 g/mol |
| Monoisotopische Masse | 150,10446507 g/mol |
| SMILES | CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C |
| InChIKey | DCSCXTJOXBUFGB-JGVFFNPUSA-N |
| PubChem CID | 92874 |
| ChEMBL | CHEMBL2426701 |
| ChEBI | CHEBI:78316 |
| EC No. | 201-292-4 |
| DTXSID | DTXSID9035620 |
| Lokaler Name | Pin-2-en-4-on |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 248 |
| Dichte | 0.975-0.9810.975 g/mL at 20 °C (lit.) |
| Löslichkeit | Practically insoluble to insoluble in watersoluble in non-polar solventsSoluble (in ethanol)Chloroform (Slightly), DMSO (Slightly), Ethanol (Slightly) |
| Siedepunkt | 89-90 °C (12 mm Hg)227-228 °C (lit.) |
| Brechungsindex | 1.490-1.500n20/D 1.496(lit.) |
| Physical Description | Colourless liquidMinty spicy aroma |
| FEMA | 4216 | VERBENONE |
| Flammpunkt | 185 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Clear light yellow to yellow |
| Wichte | 0.97 |
| Geruch | at 100.00 %. spicy mint camphor |
| Geruchsart | spicy |
| Biologische Quelle | synthetic |
| BRN | 1907623 |
| Hauptanwendungen | cleaning productscosmeticsflavors and fragrancesfood and beveragespersonal care |
| InChI | 1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m0/s1 |
| InChIKey | DCSCXTJOXBUFGB-JGVFFNPUSA-N |
| SMILES | CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C |
| LogP (Verteilungskoeffizient) | 2.230 |
| CAS Datenbank | 1196-01-6(CAS DataBase Reference) |
| EPA chemische Informationen | Verbenone (1196-01-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 69.8% (90 of 129) of all reports.WarningH302 (30.2%): Harmful if swallowed [Warning Acute toxicity, oral]H317 (29.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 129 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 90 of 129 reports by companies.There are 2 notifications provided by 39 of 129 reports by companies with hazard statement code(s).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 | Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012) |
| Hazard Classes and Categories | Acute Tox. 4 (13.5%)Skin Irrit. 2 (12.5%)Skin Sens. 1 (12.5%)Eye Irrit. 2 (12.5%)Acute Tox. 4 (12.5%)Acute Tox. 4 (30.2%)Skin Sens. 1 (29.5%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | NA 1993 / PGIII |
| Zollcode | 29142900 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
(-)-Verbenone is used to study antioxidant activity of essential oil components in lipid model systems.