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HCID 10108Erstellt: 26. Oktober 2026
3,5,5-Trimethylcyclohex-3-en-1-on
3,5,5-Trimethyl-3-cyclohexen-1-one · 3-Cyclohexen-1-one, 3,5,5-trimethyl- · β-Isophorone · Crocusatin E · beta-isophorone · 3,5,5-Trimethylcyclohexen-3-one · 2,6,6-Trimethylcyclohexene-4-one · 3,5,5-trimethylcyclohex-3-en-1-one
https://huagongshe.com/de/chemical/10108
Identifikatoren & physikalische Daten
| CAS No. | 471-01-2 |
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| Summenformel | C9H14O |
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| Durchschnittliche Molmasse | 138,21 g/mol |
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| Monoisotopische Masse | 138,10446507 g/mol |
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| SMILES | CC1=CC(C)(C)CC(=O)C1 |
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| InChIKey | LKOKKQDYMZUSCG-UHFFFAOYSA-N |
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| PubChem CID | 10108 |
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| ChEBI | CHEBI:193728 |
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| EC No. | 207-434-1 |
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| DTXSID | DTXSID90197034 |
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| Lokaler Name | 3,5,5-Trimethylcyclohex-3-en-1-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 | 10 |
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| Formalladung | 0 |
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| Komplexität | 187 |
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| Siedepunkt | 184 °C |
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| Dichte | 0.905±0.06 g/cm3(Predicted) |
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| Dampfdruck | 96.5-700.3Pa at 23.09-54℃ |
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| LogP (Verteilungskoeffizient) | 2.180 (est) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P318, P319, P321, P330, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 131 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Status: Active Update: 13-05-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/173763-Cyclohexen-1-one, 3,5,5-trimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Alarmwort | Achtung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
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