Basic information
- Standard SMILES
CC(C)(C)OOC(C)(C)c1ccccc1- InChIKey
BIISIZOQPWZPPS-UHFFFAOYSA-N- Molecular formula
- C13H20O2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.14632988
Names & identifiers
- Preferred name
- Tert-butyl cumene peroxide
- IUPAC
- 2-tert-butylperoxypropan-2-ylbenzene
- English name
- TERT-BUTYL CUMYL PEROXIDE
- Molecular formula
- C13H20O2
- Molecular weight
- 208.3
Names & synonyms
tert-Butyl cumyl peroxide3457-61-2Luperco 801-XLPeroxide, 1,1-dimethylethyl 1-methyl-1-phenylethylJ78XB9M8IRtert-Butyl alpha,alpha-dimethylbenzyl peroxidetert-butyl-cumyl peroxideEINECS 222-389-8tert-Butyl cumene peroxide1,1-Dimethylethyl 1-methyl-1-phenylethyl peroxideTERT-BUTYLCUMENEPEROXIDEDTXSID9063039
Show more names
t-Butyl cumyl peroxideNA-2091Trigonox TKayabutyl CLuperox 801Luperox D 16Peroximon 801
EC 222-389-8TERT-BUTYL CUMYL PEROXIDE, (TECHNICALLY PURE)TERT-BUTYL CUMYL PEROXIDE, [TECHNICALLY PURE]PERBUTYL CRefChem:894642PEROXIMON 166TRIGONOX T 40LUPERSOL 801
Database identifiers
- CAS
30026-92-7、3457-61-2- PubChem CID
- 76997
- DTXSID
DTXSID9063039- UNII
- J78XB9M8IR
- EC Number
- 222-389-8
- Nikkaji
- J3.053H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 185
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physical DescriptionCBI; Liquid
Physicochemical properties
- Melting point
- 5 · 5-8 °C
- Boiling point
- 287.5 °C · 287.5°C (rough estimate)
- Density
- 0.94 · 0.94
- vapor pressure
- 14 Pa · 14Pa at 40℃
- refractive index
- 1.419 · 1.419-1.423
- Flash point
- 72 °C · 72 °C
- storage temp.
- Indoors
- Water Solubility
- 10.66 mg/L · 10.66mg/L at 20℃
- Henry's Law Constant
- 1.4 · 1.4×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- LogP
- 4.4 at · 4.4 at 25℃
- CAS DataBase Reference
- 3457 · 3457-61-2
- FDA UNII
- 78 XB9M8IR · J78XB9M8IR
- EPA Substance Registry System
- 1 · Peroxide, 1,1-dimethylethyl 1-methyl-1-phenylethyl (3457-61-2)
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 242 · H242-H315-H411
- Precautionary statements
- 210 · P210-P234-P235-P240-P280-P264-P273-P370+P378-P302+P352-P332+P313-P362+P364-P391-P403-P410-P411-P420-P501
- Hazard Codes
- N-Xi-O,N,Xi,O
- Risk Statements
- 7 · 7-51/53-38
- Safety Statements
- 61 · 61-36/37/39-3/7-14A-14
- RIDADR
- 3105 · 3105
- TSCA
- TSCA listed
- HazardClass
- 5.2 · 5.2
- PackingGroup
- II
- HS Code
- 29096000 · 29096000
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H242: Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic 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)
Danger
H242 (100%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]
P210, 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)
Hazard information
Regulatory Information
Chemical: Peroxide, 1,1-dimethylethyl 1-methyl-1-phenylethyl
Peroxide, 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 LabelOrganic Peroxide
Fire HazardsExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Health HazardsExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Reactive GroupPeroxides, Organic
Reactivity AlertsExplosive
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 ReactionsNo rapid reaction with air. No rapid reaction with water.
Hazard Classes and Categories
Org. Perox. E (100%)
Organic peroxide - type E
Flammable liquids - Category 3
Org. Perox. E
Safety & protection
Fire FightingExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
First AidExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Nonfire Spill ResponseExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Isolation and EvacuationExcerpt 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)]:
Safety data
- tsca
- TSCA listed
- ridadr
- 3105
- hs_code
- 29096000
- risk_code
- 7-51/53-38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07,GHS09
- hazard_code
- N-Xi-O,N,Xi,O
- safety_code
- 61-36/37/39-3/7-14A-14
- hazard_class
- 5.2
- packing_group
- II
- Hazard statements
- H242-H315-H411
- REACH Registrations
- Active
- Precautionary statements
- P210-P234-P235-P240-P280-P264-P273-P370+P378-P302+P352-P332+P313-P362+P364-P391-P403-P410-P411-P420-P501
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 250,000 - <400,000 lb
Industry UsesChemical reaction regulator
General Manufacturing Information
Rubber Product Manufacturing
Peroxide, 1,1-dimethylethyl 1-methyl-1-phenylethyl: ACTIVE
Applications
Uses1,1-Dimethylethyl 1-methyl-1-phenylethyl Peroxide (Technical Grade) acts as a crosslinking peroxide in polymerization reactions.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers18 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
湖南嘉航医药科技有限公司85521272 15200744171 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
南通市苏北化工原料有限公司0513-85290972 18762756250 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
Hebei Fengmu Trading Co., Ltd.+86-15632192160 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
南通众合化工新材料有限公司0513-85666561 15950816326 · [email protected]
Related reactions
6 records
Linked notes
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