HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
tert-Butylperbenzoat
TBPB · tert-butyl benzoperoxoate · TERT-BUTYL PERBENZOATE · T-BUTYL PERBENZOATE · peroxybenzoate · butylperoxybenzoate · Luperox P · TERT BUTYL PEROXYBENZOUTE
Identifikatoren & physikalische Daten
| CAS No. | 614-45-9 |
|---|---|
| Summenformel | C11H14O3 |
| Durchschnittliche Molmasse | 194,23 g/mol |
| Monoisotopische Masse | 194,09429431 g/mol |
| SMILES | CC(C)(C)OOC(=O)c1ccccc1 |
| InChIKey | GJBRNHKUVLOCEB-UHFFFAOYSA-N |
| PubChem CID | 11966 |
| ChEMBL | CHEMBL1328092 |
| EC No. | 210-382-2 |
| DTXSID | DTXSID9024699 |
| Lokaler Name | tert-Butylperbenzoat |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 187 |
| Stoffklassen | Flammable agents - 3rd degree |
| Polymers | Plastics & Rubber -> Curing Agents (Aromatic) |
| SpringerMaterials Properties | Chemical shift |
| Geruch | Mild aromatic odor |
| Dichte | 1.04 at 77 °F (NTP, 1992) - Denser than waterwill sink1.021 g/cu cm at 25 °C1 @25 °C1.021 g/mL at 25 °C (lit.) |
| Color/Form | Colorless liquidColorless to slight yellow liquid |
| Löslichkeit | less than 1 mg/mL at 68 °F (NTP, 1992)Insoluble in waterSoluble in alcohols, esters, ethers, ketoneswater: soluble1.18g/LImmiscible |
| Flammpunkt | 200 °F (NTP, 1992)93.4 °C (200.1 °F) - closed cup>190 °F (>88 °C) - open cup |
| Siedepunkt | 234 °F at 760 mmHg (NTP, 1992)112 °C (decomposes)BP: 75 °C at 0.2 mm Hg112 °C @760 [mm Hg]75-76 °C/0.2 mmHg (lit.) |
| Decomposition | Hazardous decomposition products formed under fire conditions - Carbon oxides.When heated to decomposition it emits acrid smoke and fumes. |
| Schmelzpunkt | 46 °F (NTP, 1992)8 °C |
| Dampfdruck | 0.33 mmHg at 122 °F (NTP, 1992)VP: 0.33 mm Hg at 50 °C0.33 [mm Hg] @50 °C3.36 mm Hg ( 50 °C) |
| Dampfdichte | 6.7 (vs air) |
| Brechungsindex | n20/D 1.499(lit.) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Clear yellow |
| Geruch | mild aromatic odor |
| BRN | 1342734 |
| Henry-Konstante | 4.7×10-2 mol/(m3Pa) at 25℃, HSDB (2015) |
| Stabilität | Stable. Combustible. Incompatible with a wide range of organic materials - oxidizer. May react violently with organic compounds. |
| Kosmetik-Inhaltsstoffe Funktionen | UV ABSORBER |
| InChI | 1S/C11H14O3/c1-11(2,3)14-13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3 |
| InChIKey | GJBRNHKUVLOCEB-UHFFFAOYSA-N |
| SMILES | CC(C)(C)OOC(=O)c1ccccc1 |
| LogP (Verteilungskoeffizient) | 3 at 25℃ |
| CAS Datenbank | 614-45-9(CAS DataBase Reference) |
| NIST chemische Informationen | tert-Butyl peroxybenzoate(614-45-9) |
| EPA chemische Informationen | tert-Butyl perbenzoate (614-45-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.9% (27 of 1433) of reports.DangerH242 (92.8%): Heating may cause a fire [Danger Self-reactive substances and mixturesOrganic peroxides]P210, P234, P235, P240, P261, P264, P271, P272, P273, P280, P302+P352, P304+P340, P317, P321, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403, P410, P411, P420, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1433 reports by companies from 21 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenecarboperoxoic acid, 1,1-dimethylethyl esterBenzenecarboperoxoic acid, 1,1-dimethylethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenecarboperoxoic 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: 26-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14209Benzenecarboperoxoic acid, 1,1-dimethylethyl ester: Does not have an individual approval but may be used under an appropriate group standardThe 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 |
| Brandgefahren | Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]: |
| Gesundheitsgefahren | Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]: |
| Gefahrenübersicht | An oxidizer[Hawley] A strong oxidizerExplosiveFire and explosion hazard on contact with organic materials |
Anwendungen & Verwendung
Verwenden
tert-Butyl peroxybenzoate was employed as polymerization and cross-linking catalyst. It was also was employed as initiator during grafting of 2,2,6,6-tetramethyl-1-piperidinyloxy (TEMPO)-4-oxyacetamido-(3 propyltriethoxysilane) to poly(ethylene co-octene and in preparation of conformal poly(cyclohexyl methacrylate) thin films via initiated chemical vapor deposition.