HuagongsheHuagongshe Chemistry Print Report · For research reference only
Tert-butyl cumene peroxide
t-Butyl cumyl peroxide · NA-2091 · Trigonox T · Kayabutyl C · Luperox 801 · Lupersol 801 · Luperox D 16 · Trigonox T 40
Identifiers & Physical Properties
| CAS No. | 30026-92-7 |
|---|---|
| Molecular formula | C13H20O2 |
| Average molar mass | 208.3 g/mol |
| Monoisotopic mass | 208.14632988 g/mol |
| SMILES | CC(C)(C)OOC(C)(C)c1ccccc1 |
| InChIKey | BIISIZOQPWZPPS-UHFFFAOYSA-N |
| PubChem CID | 76997 |
| EC No. | 222-389-8 |
| DTXSID | DTXSID9063039 |
Chemical & Physical Properties
| XLogP | 3.2 |
|---|---|
| Topological polar surface area | 18.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 4 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 185 |
| SpringerMaterials Properties | Boiling point |
| Physical Description | CBILiquid |
| Melting point | 5-8 °C |
| Boiling point | 287.5°C (rough estimate) |
| Density | 0.94 |
| Vapor pressure | 14Pa at 40℃ |
| Refractive index | 1.419-1.423 |
| Flash point | 72 °C |
| Storage conditions | Indoors |
| Solubility | 10.66mg/L at 20℃ |
| Henry's law constant | 1.4×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| LogP (partition coefficient) | 4.4 at 25℃ |
| CAS DataBase Reference | 3457-61-2 |
| FDA UNII | J78XB9M8IR |
| EPA Substance Registry System | Peroxide, 1,1-dimethylethyl 1-methyl-1-phenylethyl (3457-61-2) |
| GHS pictogram | GHS02,GHS07,GHS09 |
| Signal word | Warning |
| GHS hazard statements | H242-H315-H411 |
| GHS precautionary statements | P210-P234-P235-P240-P280-P264-P273-P370+P378-P302+P352-P332+P313-P362+P364-P391-P403-P410-P411-P420-P501 |
| Hazard symbols | N-Xi-O,N,Xi,O |
| Risk statements (R) | 7-51/53-38 |
| Safety statements (S) | 61-36/37/39-3/7-14A-14 |
| UN transport number | 3105 |
| TSCA inventory status | TSCA listed |
| Hazard class | 5.2 |
| Packing group | II |
| Customs code | 29096000 |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | WarningH242: Heating may cause a fire [Danger Self-reactive substances and mixturesOrganic peroxides]P210, P234, P235, P240, P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P370+P378, P391, P403, P410, P411, P420, and P501 (click each P-code to see the statement)H242 (100%): Heating may cause a fire [Danger Self-reactive substances and mixturesP210, P234, P235, P240, P261, P264, P272, P273, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403, P410, P411, P420, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatory information | Chemical: Peroxide, 1,1-dimethylethyl 1-methyl-1-phenylethylPeroxide, 1,1-dimethylethyl 1-methyl-1-phenylethyl is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Peroxide, 1,1-dimethylethyl 1-methyl-1-phenylethyl 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: 17-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/13239 |
| DOT label | Organic Peroxide |
| Fire hazards | Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]: |
| Health hazards | Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]: |
| Reactive group | Peroxides, Organic |
| Reactivity Alerts | Explosive |
| Reactivity Profile | Peroxides, such as TERT-BUTYL CUMENE PEROXIDE, are good oxidizing agents. Organic compounds can ignite on contact with concentrated peroxides. Strongly reduced material such as sulfides, nitrides, and hydrides may react explosively with peroxides. There are few chemical classes that do not at least produce heat when mixed with peroxides. Many produce explosions or generate gases (toxic and nontoxic). Generally, dilute solutions of peroxides (<70%) are safe, but the presence of a catalyst (often a transition metal such as cobalt, iron, manganese, nickel, or vanadium) as an impurity may even then cause rapid decomposition, a buildup of heat, and even an explosion. Solutions of peroxides often become explosive when evaporated to dryness or near-dryness. May explode from heat or contamination. May ignite combustibles (wood, paper, oil, clothing, etc.). May be ignited by heat, sparks or flames. |
| Air and Water Reactions | No rapid reaction with air. No rapid reaction with water. |
| Hazard Classes and Categories | Org. Perox. E (100%)Organic peroxide - type EFlammable liquids - Category 3 |
| Fire fighting | Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]: |
| First aid | Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]: |
| Nonfire spill response | 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 inventory status | TSCA listed |
| UN transport number | 3105 |
| Customs code | 29096000 |
| Risk statements (R) | 7-51/53-38 |
| Signal word | Warning |
| GHS pictogram | GHS02,GHS07,GHS09 |
| Hazard symbols | N-Xi-O,N,Xi,O |
| Safety statements (S) | 61-36/37/39-3/7-14A-14 |
| Hazard class | 5.2 |
| Packing group | II |
| GHS hazard statements | H242-H315-H411 |
| REACH registrations | Active |
| GHS precautionary statements | P210-P234-P235-P240-P280-P264-P273-P370+P378-P302+P352-P332+P313-P362+P364-P391-P403-P410-P411-P420-P501 |
Applications & Uses
Uses
1,1-Dimethylethyl 1-methyl-1-phenylethyl Peroxide (Technical Grade) acts as a crosslinking peroxide in polymerization reactions.