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HCID 65724Erstellt: 27. Oktober 2026
(1R)-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-on
D-Verbenone · Verbinone · Nsc36846 · Verbenone · Verbenone,(d) · (+)-VERBENONE · (R)-(+)-Verbenone · Verbenone, (+)- vone
https://huagongshe.com/de/chemical/65724
Identifikatoren & physikalische Daten
| CAS No. | 18309-32-5 |
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| Summenformel | C10H14O |
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| Durchschnittliche Molmasse | 150,22 g/mol |
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| Monoisotopische Masse | 150,10446507 g/mol |
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| SMILES | CC1=CC(=O)[C@@H]2C[C@H]1C2(C)C |
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| InChIKey | DCSCXTJOXBUFGB-SFYZADRCSA-N |
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| PubChem CID | 65724 |
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| ChEMBL | CHEMBL1409937 |
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| ChEBI | CHEBI:9955 |
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| EC No. | 242-195-7 |
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| DTXSID | DTXSID30885024 |
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| Lokaler Name | (1R)-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-on |
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Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
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| Polarare Oberfläche (TPSA) | 17,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 248 |
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| SpringerMaterials Properties | Optical coefficient |
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| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
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| Schmelzpunkt | 6.5° |
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| Siedepunkt | bp12 102-105°bp760 227-228° |
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| Dichte | d20 0.9780 |
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| Brechungsindex | nD18 1.4957 |
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| Lagerbedingungen | Store at 0-8 °C |
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| Löslichkeit | Chloroform (Sparingly), Methanol (Slightly) |
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| Aggregatzustand | Oil |
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| Farbe | Colourless to Pale Yellow |
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| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
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| InChI | InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m1/s1 |
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| InChIKey | DCSCXTJOXBUFGB-SFYZADRCSA-N |
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| SMILES | [C@@]12([H])C[C@@]([H])(C1(C)C)C(C)=CC2=O |
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| LogP (Verteilungskoeffizient) | 2.139 (est) |
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| EPA chemische Informationen | Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1R,5R)- (18309-32-5) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (115 of 115) of all reports.Not ClassifiedAggregated GHS information provided per 115 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Chemical: Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1R)-Bicyclo3.1.1hept-3-en-2-one, 4,6,6-trimethyl-, (1R,5R)-: Does not have an individual approval but may be used under an appropriate group standard |
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| Weitere Sicherheitsinformationen | IMAP assessments - Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1R)-: Environment tier I assessment |
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| Hazard Classes and Categories | Not Classified |
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| TSCA-Inventar-Status | TSCA listed |
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![Molekülstruktur von (1R)-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-on](/img/chemical/65724.png)