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[1S-(1α,2β,5α)]-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-ol
Z-Verbenol · (+)-Verbenol · (S)-CIS-VERBENOL · (4S)-cis-Verbenol · (1S)-CIS-VERBENOL · (S)-cis-Verbenol 95% · (S)-CIS-VERBENOL, 95% (50+% E.E.) · (S)-cis-Verbenol,97%,sum of isomers
![Molekülstruktur von [1S-(1α,2β,5α)]-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-ol](/img/chemical/87839.png)
Identifikatoren & physikalische Daten
| CAS No. | 1845-30-3 |
|---|---|
| Summenformel | C10H16O |
| Durchschnittliche Molmasse | 152,23 g/mol |
| Monoisotopische Masse | 152,12011513 g/mol |
| SMILES | CC1=C[C@H](O)[C@H]2C[C@@H]1C2(C)C |
| InChIKey | WONIGEXYPVIKFS-YIZRAAEISA-N |
| PubChem CID | 87839 |
| ChEBI | CHEBI:233296 |
| EC No. | 242-645-2 |
| DTXSID | DTXSID20885073 |
| Lokaler Name | [1S-(1α,2β,5α)]-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-ol |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 215 |
| Stoffklassen | Biological Agents -> Plant Oils and Extracts |
| LogP (Verteilungskoeffizient) | 3.16 |
| Physical Description | White powder[Sigma MSDS] |
| Schmelzpunkt | 62-65 °C (lit.) |
| Siedepunkt | 214.9±9.0 °C(Predicted) |
| Dichte | 1.002±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Storage temp. 2-8°C |
| pKa (Säurekonstante) | 14.56±0.60(Predicted) |
| Aggregatzustand | Powder |
| Farbe | Bordeaux to dark brown-red |
| Geruch | at 100.00 %. balsamic |
| Geruchsart | balsamic |
| BRN | 2206582 |
| InChI | InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8+,9-/m0/s1 |
| InChIKey | WONIGEXYPVIKFS-YIZRAAEISA-N |
| SMILES | [C@]12([H])C[C@]([H])(C1(C)C)C(C)=C[C@@H]2O |
| LogP (Verteilungskoeffizient) | 3.160 |
| EPA chemische Informationen | (S)-cis-Verbenol (18881-04-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 73.4% (105 of 143) of all reports.WarningH315 (26.6%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 143 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
| Gefahrenübersicht | An irritant[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (26.6%) |
| F | 8 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29061990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
(S)-cis-Verbenol (cas# 18881-04-4) is used as a pheromone dispenser and in the method for trapping harmful forest, horticultural and agricultural insects.