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Tert-butyl cumene peroxide

HCID 76997
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
30026-92-7
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 propertiesFilling in

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
color
Yellow
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℃

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 6 items

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 · 3 items

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

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 250,000 - <400,000 lb
Industry UsesChemical reaction regulator
General Manufacturing Information · 2 items

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

Acetyl peroxide2,2,2-TrichloroacetiMidic Acid 2-Phenylpropan-2-yl Estertert-Butyl hydroperoxide2-Phenyl-2-propanolp-Toluenesulfonic acid

Downstream products

2,3-Dimethyl-2,3-diphenylbutanetert-Butyl peroxyacetate

Related reactions

6 records
New reaction record
HRID 439895 reaction equation
HRID 439895As productuspto-grants-1996_05
HRID 845111 reaction equation
HRID 845111As reactantuspto-grants-1988_07
HRID 1607382 reaction equation
HRID 1607382As productuspto-grants-1989_09
HRID 1751813 reaction equation
HRID 1751813As reactantuspto-grants-2015_10
HRID 1904173 reaction equation
HRID 1904173As reactantuspto-grants-1989_06
HRID 2166117 reaction equation
HRID 2166117As reactantuspto-grants-1990_07

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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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
2909600000 · 2909600000
REACH Registrations
Active
Reactivity Profile · 1 item

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 · 4 items

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
2909600000
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