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tert-Butylperacetat
tert-butyl · T-BUTYL PERACETATE · TERT-BUTYL PERACETATE · tert-Butyl ethaneperoxoate · Trigonox?F · lupersol70 · LUPEROX 7M50 · LUPEROX 7M75
Identifikatoren & physikalische Daten
| CAS No. | 107-71-1 |
|---|---|
| Summenformel | C6H12O3 |
| Durchschnittliche Molmasse | 132,16 g/mol |
| Monoisotopische Masse | 132,07864424 g/mol |
| SMILES | CC(=O)OOC(C)(C)C |
| InChIKey | SWAXTRYEYUTSAP-UHFFFAOYSA-N |
| PubChem CID | 61019 |
| EC No. | 203-514-5 |
| DTXSID | DTXSID9029142 |
| Lokaler Name | tert-Butylperacetat |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 101 |
| Stoffklassen | Other Classes -> Peroxides, OrganicFlammable agents - 3rd degree |
| SpringerMaterials Properties | Chemical shift |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | This liquid peroxide is sensitive to heat. Storage of this material must be done so with stringent temperature control measures. Its explosion hazard is also mitigated by mixing the peroxide with an inert solid.[CAMEO] Solution in 10-30% aliphatic hydrocarbons (Stoddard type): Light yellow liquid with a pungent odor[Sigma-Aldrich MSDS] |
| Schmelzpunkt | -20 °C |
| Siedepunkt | 184.08°C (rough estimate) |
| Dichte | 0.828 g/mL at 25 °C |
| Dampfdruck | 1.966Pa at 25℃ |
| Brechungsindex | n20/D 1.412 |
| Flammpunkt | 99 °F |
| Lagerbedingungen | Refrigerator (+4°C) + Flammables area |
| Aggregatzustand | Solution |
| Farbe | Clear |
| Löslichkeit | 3.878g/L at 25℃ |
| InChI | InChI=1S/C6H12O3/c1-5(7)8-9-6(2,3)4/h1-4H3 |
| InChIKey | SWAXTRYEYUTSAP-UHFFFAOYSA-N |
| SMILES | C(OOC(C)(C)C)(=O)C |
| LogP (Verteilungskoeffizient) | 1.6 at 25℃ |
| CAS Datenbank | 107-71-1(CAS DataBase Reference) |
| EPA chemische Informationen | tert-Butyl peroxyacetate (107-71-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (19.4%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P234, P235, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P321, P330, P333+P317, P337+P317, P362+P364, 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 629 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H201: (Deleted) Explosivemass explosion hazard [Danger Explosives] |
|---|---|
| Regulatorische Informationen | Chemical: Ethaneperoxoic acid, 1,1-dimethylethyl esterEthaneperoxoic acid, 1,1-dimethylethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethaneperoxoic acid, 1,1-dimethylethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 31-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/22656Ethaneperoxoic acid, 1,1-dimethylethyl ester: 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.The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| DOT-Kennzeichnung | Organic Peroxide Explosive |
| Brandgefahren | Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]: |
| Gesundheitsgefahren | Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]: |
| Gefahrenübersicht | A strong oxidizer that may cause fire or explosion on contact with combustible materialsExplosive and sensitive to heat and shock[CAMEO] A moderate eye irritantCauses respiratory depression, GI bleeding, abnormal liver function results, and effects on spermatogenesis in acute inhalation studies (species not specified)Causes abnormal recording from peripheral motor nerves, proteinuria, hemolysis, and effects on spermatogenesis and male reproductive organs in acute inhalation studies of rats[RTECS] Solution in 10-30% aliphatic hydrocarbons (Stoddard type, CAS# 8052-41-3): Organic peroxide that may cause fire or explode on heatingA skin and strong eye irritantHarmful by ingestionPossible carcinogen and mutagen[Sigma-Aldrich MSDS] See Peroxybenzoic acid, t-butyl ester and Diisopropyl peroxydicarbonate. |
| Reaktive Gruppe | Peroxides, Organic |
| Reactivity Alerts | Explosive |
| Reactivity Profile | TERT-BUTYL PEROXYACETATE explodes with great violence when rapidly heated to a critical temperaturepure form is shock sensitive and detonable [Bretherick 1979 p. 602]. Upon contact with organic matter, t-butyl peroxyacetate can ignite or give rise to an explosion [Haz. Chem. Data 1973 p. 77]. |
| DOT Hazard Classification | tert-Butyl peroxyacetate, with more than 76 percent in solutionForbidden explosives/materials (49 eCFR § 173.54/§ 173.21) |
| Air and Water Reactions | No rapid reaction with air. No rapid reaction with water. |
| Hazard Classes and Categories | Flam. Liq. 3 (19.4%)Explosives - Division 1.1Flammable agents - 3rd degree, Reactive agents - 4th degree |
| Brandbekämpfung | Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]: |
| Erste Hilfe | Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]: |
| Freisetung ohne Brand | Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]: |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]: |
| Unerwünschte Wirkungen | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| Toxicity Data | LC33 (rat) = 8,200 mg/m3/4hr |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3103 5.2 |
| Zollcode | 29159000 |
| RTECS-Nr. | SD8925000 |
| R-Sätze (R) | 23/24/25-36/37/38-40-65-22-10-7-45-46 |
| Gefahrensymbole | F,T,O,Xi |
| Sicherheitshinweise (S) | 16-26-36/37/39-45-62-47-14-7-53-3/7-36/37-35 |
| Gefahrenklasse | 5.2Acute Tox. 4 OralAsp. Tox. 1Carc. 1BEye Irrit. 2Flam. Liq. 3Muta. 1BOrg. Perox. CSkin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 5.2 - Organic peroxides and self-reacting hazardous materials |
Anwendungen & Verwendung
Verwenden
Polymerization initiator for vinyl monomers, manufacture of polyethylene and polystyrene.