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1,1,3,3-Tetramethylbutylhydroperoxid
Einecs 227-369-2 · 1,1,3,3-Tetramethylbutyl hydroperoxide · 2-(Hydroperoxy)-2,4,4-trimethylpentane · 1,1,3,3-tetramethylbutyl hydropereoxide · Hydroperoxide,1,1,3,3-tetramethyl butyl · hydroperoxide, 1,1,3,3-tetramethylbutyl · (2E)-2-[(4-nitrophenyl)hydrazinylidene]-3-oxo-3-(5-oxo-[1,3,4]thiadiazolo[3,2-a]quinazolin-2-yl)propanoic acid ethyl ester
Identifikatoren & physikalische Daten
| CAS No. | 5809-08-5 |
|---|---|
| Summenformel | C8H18O2 |
| Durchschnittliche Molmasse | 146,23 g/mol |
| Monoisotopische Masse | 146,13067982 g/mol |
| SMILES | CC(C)(C)CC(C)(C)OO |
| InChIKey | MIRQGKQPLPBZQM-UHFFFAOYSA-N |
| PubChem CID | 79877 |
| EC No. | 227-369-2 |
| DTXSID | DTXSID3064011 |
| Lokaler Name | 1,1,3,3-Tetramethylbutylhydroperoxid |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 100 |
| Physical Description | This liquid peroxide is heat and contamination sensitive. |
| Siedepunkt | 197.7±9.0 °C(Predicted) |
| Dichte | 0.888±0.06 g/cm3(Predicted) |
| Dampfdruck | 15Pa at 20℃ |
| pKa (Säurekonstante) | 12.71±0.50(Predicted) |
| Löslichkeit | 2.8g/L at 20℃ |
| LogP (Verteilungskoeffizient) | 2.9 at 20℃ |
| EPA chemische Informationen | Hydroperoxide, 1,1,3,3-tetramethylbutyl (5809-08-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (65%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P234, P235, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P332+P317, P333+P317, P362+P364, P363, P370+P378, P391, P403, P403+P233, P403+P235, P405, P410, P411, P420, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 20 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 05-08-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/10047 |
| DOT-Kennzeichnung | Organic Peroxide |
| Brandgefahren | Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]: |
| Gesundheitsgefahren | Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]: |
| Reaktive Gruppe | Peroxides, Organic |
| Reactivity Alerts | Explosive |
| Reactivity Profile | Most alkyl monohydroperoxides are liquid, the explosivity of the lower members (e.g., methyl hydroperoxide, or possibly due to traces of the dialkyl peroxides) decreasing with increasing chain length and branching [Bretherick 2nd ed. 1979 p.10]. |
| Air and Water Reactions | No rapid reaction with air. No rapid reaction with water. |
| Hazard Classes and Categories | Flam. Liq. 3 (65%) |
| Brandbekämpfung | Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]: |
| Erste Hilfe | Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]: |
| Freisetung ohne Brand | Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]: |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]: |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3105 |
| Gefahrenklasse | 5.2 |
| Verpackungsgruppe | II |