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Tetramethylcyclobutan-1,3-dion
C8H12O2 · NSC 72172 · NSC 46472 · Dimethylkene dimer · RARECHEM AQ C4 0041 · TIMTEC-BB SBB008408 · DIMETHYL KETENE DIMER · Tetramethylcyclobutenedione
Identifikatoren & physikalische Daten
| CAS No. | 933-52-8 |
|---|---|
| Summenformel | C8H12O2 |
| Durchschnittliche Molmasse | 140,18 g/mol |
| Monoisotopische Masse | 140,08372962 g/mol |
| SMILES | CC1(C)C(=O)C(C)(C)C1=O |
| InChIKey | RGCDVHNITQEYPO-UHFFFAOYSA-N |
| PubChem CID | 13617 |
| ChEMBL | CHEMBL3183999 |
| EC No. | 213-269-6 |
| DTXSID | DTXSID4044745 |
| Lokaler Name | Tetramethylcyclobutan-1,3-dion |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 34,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 167 |
| Stoffklassen | Other Classes -> Other Organic Compounds |
| SpringerMaterials Properties | Chemical shift |
| Physical Description | White crystalline solid[MSDSonline] |
| Schmelzpunkt | 114-116 °C(lit.) |
| Siedepunkt | 95-159 °C750 mm Hg(lit.) |
| Dichte | 1.0373 (rough estimate) |
| Brechungsindex | 1.4580 (estimate) |
| Flammpunkt | 120-122°C/150mm |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | It is soluble in chloroform. |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| InChI | InChI=1S/C8H12O2/c1-7(2)5(9)8(3,4)6(7)10/h1-4H3 |
| InChIKey | RGCDVHNITQEYPO-UHFFFAOYSA-N |
| SMILES | C1(=O)C(C)(C)C(=O)C1(C)C |
| CAS Datenbank | 933-52-8(CAS DataBase Reference) |
| EPA chemische Informationen | 1,3-Cyclobutanedione, 2,2,4,4-tetramethyl- (933-52-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1,3-Cyclobutanedione, 2,2,4,4-tetramethyl- |
| Gefahrenübersicht | A tumorigen[RTECS] May cause irritation[MSDSonline] |
| Hazard Classes and Categories | Skin Irrit. 2 (50%) |
| Non-Human Toxicity Excerpts | AMONG 13 LOW MOLECULAR WEIGHT COMPOUNDS TESTED FOR CARCINOGENIC ACTIVITY BY LIFETIME SC INJECTION IN ICR/HA SWISS MICE, 2,2,4,4-TETRAMETHYL-1,3-CYCLOBUTANEDIONE, CAUSED LOW INCIDENCES OF TUMORS AT THE INJECTION SITE. |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2914290090 |
| RTECS-Nr. | GU1775000 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrstoffdaten | 933-52-8(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
Tetramethyl-1,3-cyclobutanedione is used as a chemical for life science research. It is also used to make other chemical, as well as an chemical and organic intermediate.