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(+)-Pin-2(3)-en
(1R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene · (+)-α-Pinene · FEMA 2902 · (1R)-(+)-α-pinene · (+)-a-pinene · α-Pinene dextro · (1R,5R)-2-6,6-TRIMETHYL-BICYCLO[3.1.1]HEPT-2-ENE · (1R)-(+)-a-pinene
Identifikatoren & physikalische Daten
| CAS No. | 7785-70-8 |
|---|---|
| Summenformel | C10H16 |
| Durchschnittliche Molmasse | 136,23 g/mol |
| Monoisotopische Masse | 136,12520051 g/mol |
| SMILES | CC1=CC[C@@H]2C[C@H]1C2(C)C |
| InChIKey | GRWFGVWFFZKLTI-RKDXNWHRSA-N |
| PubChem CID | 82227 |
| ChEMBL | CHEMBL1236329 |
| ChEBI | CHEBI:28261 |
| EC No. | 232-087-8 |
| DTXSID | DTXSID7041671 |
| Lokaler Name | (+)-Pin-2(3)-en |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 186 |
| Stoffklassen | Biological Agents -> Terpenes |
| Lipide | Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102] |
| Duftstoffe | Fragrance Ingredient (d-.alpha.-Pinene) -> IFRA transparency List |
| LogP (Verteilungskoeffizient) | 4.44 |
| Dichte | 0.855-0.8600.858 g/mL at 20 °C(lit.) |
| Löslichkeit | Insoluble in watersoluble in oilsSoluble (in ethanol)Soluble in Ether, Alcohols, Chloroform. Not miscible in water. |
| Siedepunkt | 155.00 to 156.00 °C. @ 760.00 mm Hg155 °C155-156 °C(lit.) |
| Schmelzpunkt | -62 °C−62 °C(lit.) |
| Brechungsindex | 1.462-1.468n20/D 1.465(lit.) |
| Physical Description | LiquidClear colorless liquid[Sigma-Aldrich MSDS]Colourless mobile liquidwarm, resinous, pine-like aroma |
| Dampfdruck | 5 hPa (25 °C) |
| FEMA | 2902 | ALPHA-PINENE |
| Flammpunkt | 91 °F |
| Lagerbedingungen | Store at +2°C to +8°C. |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| Geruch | at 10.00 % in dipropylene glycol. harsh terpene aromatic minty |
| Geruchsart | herbal |
| Explosionsgrenze | 0.8-6%(V) |
| Biologische Quelle | synthetic |
| Merck | 14,7445 |
| JECFA Number | 1329 |
| BRN | 3648264 |
| Dielektrizitätskonstante | 2.7(20℃) |
| Hauptanwendungen | flavors and fragrances |
| InChI | 1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1 |
| InChIKey | GRWFGVWFFZKLTI-UHFFFAOYSA-N |
| SMILES | CC1=CC[C@@H]2C[C@H]1C2(C)C |
| LogP (Verteilungskoeffizient) | 4.44-4.46 at 20-37℃ |
| CAS Datenbank | 7785-70-8(CAS DataBase Reference) |
| EPA chemische Informationen | Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R,5R)- (7785-70-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.3% (5 of 1465) of reports.DangerH226 (99.7%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P272, P273, P280, P301+P316, P302+P352, P303+P361+P353, P321, P331, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1465 reports by companies from 23 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R)-Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R,5R)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1R,5R)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 18-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/9984(1R)-(+)-a-pinene: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Alpha-pinene: Human health tier II assessment |
| Gefahrenübersicht | A skin and strong eye irritantMay cause allergic reactions in sensitive individuals, based on QSAR modeling[Sigma-Aldrich MSDS] See alpha-Pinene. |
| Hazard Classes and Categories | Flam. Liq. 3 (99.7%)Acute toxicity (ingestion) - category 4 |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2368 3/PG 3 |
Anwendungen & Verwendung
Verwenden
(1R)-(+)-α-Pinene is used in hydroboration reactions and the reduction of ketones.