HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,3-Dimethylcyclohexane, trans-
TRANS-HEXAHYDRO-M-XYLENE · Cyclohexane, 1,3-dimethyl- · trans-1,3-Dimethylcyclohexane · 1,trans-3-Dimethylcyclohexane · 1,3-Dimethylcyclohexane, trans · 1,3-dimethyl(trans)-cyclohexane · cyclohexane,1,3-dimethyl-,trans- · trans-1,3-Dimethylcyclohexane >trans-1,3-Dimethylcyclohexane
Identifikatoren & physikalische Daten
| CAS No. | 2207-03-6 |
|---|---|
| Summenformel | C8H16 |
| Durchschnittliche Molmasse | 112,21 g/mol |
| Monoisotopische Masse | 112,12520051 g/mol |
| SMILES | C[C@@H]1CCC[C@@H](C)C1 |
| InChIKey | SGVUHPSBDNVHKL-HTQZYQBOSA-N |
| PubChem CID | 16629 |
| EC No. | 620-666-1 |
| DTXSID | DTXSID70858737 |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 58,4 |
| Schmelzpunkt | -90.09°C |
| Siedepunkt | 124 °C |
| Dichte | 0.78 |
| Brechungsindex | 1.43 |
| Flammpunkt | 9 °C |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Spezifische Wärmekapazität | Cp(liquid): 1.9 J/(g·K), at 25℃ |
| Henry-Konstante | 1.7×10-5 mol/(m3Pa) at 25℃, Yaws (2003) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 7% (3 of 43) of reports.DangerH225 (93%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 2 (93%) |
| UN-Transportnummer | 2263 |
| Zollcode | 2902.19.0050 |
| R-Sätze (R) | 11-36/37/38 |
| Gefahrensymbole | F,Xi |
| Sicherheitshinweise (S) | 16-26-36/37/39 |
| Gefahrenklasse | 3.1 |
| Verpackungsgruppe | II |
Anwendungen & Verwendung
Verwenden
trans-1,3-Dimethylcyclohexane is used to evaluate strain energy of hydrocarbons.