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HCID 18309Erstellt: 27. Oktober 2026
1,1,3-Trimethylcyclohexan
Cyclogeraniolane · 1,1,3-Trimethycyclohexane · 1,1,3-trimethyl-cyclohexan · 1,1,3-TRIMETHYLCYCLOHEXANE · 2,2,4-Trimethylcyclohexane · cyclohexane,1,1,3-trimethyl- · 1,1,3-Trimethylcyclohexane >1,1,3-TRIMETHYLCYCLOHEXANE 99+% · C9 H18, 1,1,3-Trimethylcyclohexane
https://huagongshe.com/de/chemical/18309
Identifikatoren & physikalische Daten
| CAS No. | 3073-66-3 |
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| Summenformel | C9H18 |
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| Durchschnittliche Molmasse | 126,24 g/mol |
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| Monoisotopische Masse | 126,14085058 g/mol |
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| SMILES | CC1CCCC(C)(C)C1 |
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| InChIKey | PYOLJOJPIPCRDP-UHFFFAOYSA-N |
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| PubChem CID | 18309 |
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| EC No. | 221-347-6 |
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| DTXSID | DTXSID60858746 |
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| Lokaler Name | 1,1,3-Trimethylcyclohexan |
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Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
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| Polarare Oberfläche (TPSA) | 0 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 0 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 9 |
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| Formalladung | 0 |
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| Komplexität | 92,2 |
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| Lipide | Fatty Acyls [FA] -> Hydrocarbons [FA11] |
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| Solvents | Solvents -> Aliphatics, Saturated (<C12) |
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| SpringerMaterials Properties | Boiling point |
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| Physical Description | Clear colorless liquid[Sigma-Aldrich MSDS] |
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| Schmelzpunkt | -65.75°C |
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| Siedepunkt | 136-138°C |
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| Dichte | 0,778 g/cm3 |
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| Dampfdruck | 11.1 (estimated using Antoine equation, Dean, 1987) |
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| Brechungsindex | n20/D 1.429 |
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| Flammpunkt | 18°C |
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| Löslichkeit | Miscible with cyclopentane, cyclohexane, methylcyclohexane, dimethylcyclohexane, and trimethylcyclohexane isomers.1.77 mg/kg at 25 °C (shake flask-GLC, Price, 1976) |
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| Aggregatzustand | clear liquid |
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| pKa (Säurekonstante) | >14 (Schwarzenbach et al., 1993) |
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| Farbe | Colorless to Almost colorless |
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| Geruch | green sweet |
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| Henry-Konstante | 1.1 at 25 °C (Mackay and Shiu, 1981) |
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| LogP (Verteilungskoeffizient) | 4.614 (est) |
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| CAS Datenbank | 3073-66-3(CAS DataBase Reference) |
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| EPA chemische Informationen | Cyclohexane, 1,1,3-trimethyl- (3073-66-3) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.DangerH225 (25%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| Gefahrenübersicht | Intravenous LD50 (mouse) = 18 mg/kg[RTECS] See Cyclohexane. |
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| Hazard Classes and Categories | Flam. Liq. 2 (25%) |
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| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
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| UN-Transportnummer | 1993 |
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| Zollcode | 2902.19.0050 |
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| RTECS-Nr. | GV7650000 |
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| R-Sätze (R) | 11-65 |
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| Toxizität | EC50 (48-h static bioassay) for Daphnia pulex 1,000 μg/L (Passino-Reader et al., 1997). |
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| Gefahrensymbole | F,Xn |
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| Sicherheitshinweise (S) | 9-16-29-33-62 |
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| Gefahrenklasse | 3.1 |
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| Verpackungsgruppe | II |
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