2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane
Completing data — refresh the page later to see the latest
Basic information
- CAS
78-63-7- Standard SMILES
CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C- InChIKey
DMWVYCCGCQPJEA-UHFFFAOYSA-N- Molecular formula
- C16H34O4
- Average molar mass
- 290.44 g/mol
- Monoisotopic mass
- 290.24570957
Overview
2,5-dimethyl-2,5-di-(tert-butylperoxy)hexane, [<= 52% with inert solid] is a clear, yellow liquid. (NTP, 1992)also for storage and transport mixed with inert solid.
Names & identifiers
- Preferred name
- 2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane
- IUPAC
- 2,5-bis(tert-butylperoxy)-2,5-dimethylhexane
- English name
- 2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane
- Molecular formula
- C16H34O4
- Molecular weight
- 290.44
Names & synonyms
78-63-72,5-Dimethyl-2,5-di(tert-butylperoxy)hexane2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexaneVaroxPerhexa 3M40Trigonox 101-101/45CCRIS 4626DTXSID9025110EINECS 201-128-1NSC 38203BRN 1863369UNII-923755EYY5
Show more names
luperoxTrigonox 101DPDHluperox1012,5-Dimethyl-2,5-di2,5-Dimethyl-2,5-di(tert-butyl2,5-DIMETHYL-2,5-DI(T-BUTYL-PEROXY)HEXANE2,5-BIS(TERT-BUTYLPEROXY)-2,5-DIMETHYLHEXANE2,5-DIMETHYL-2,5-BIS(TERT-BUTYLPEROXY)HEXANE2,5-Bis(tert-butyl peroxide)-2,5-dimethyhexane
VAROX DBPHNSC-38203Hexane, 2,5-dimethyl-2,5-di(tert-butylperoxy)-923755EYY52,5-Dimethyl-2,5-bis(tert-butylhydroperoxy)hexaneDTXCID005110EC 201-128-1Peroxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis((1,1-dimethylethyl)
Database identifiers
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 252
Experimental & physicochemical properties
Chemical Classes
Other Classes -> Peroxides, Organic
Industrial compound
Solubilityless than 1 mg/mL at 73 °F (NTP, 1992)
Flash Point185 °F (NTP, 1992)
Boiling Point122 to 126 °F at 0.1 mmHg (NTP, 1992)
Melting Point46 °F (NTP, 1992)
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
Physical Description
2,5-dimethyl-2,5-di-(tert-butylperoxy)hexane, [<= 52% with inert solid] is a clear, yellow liquid. (NTP, 1992)also for storage and transport mixed with inert solid.
2,5-dimethyl-2,5-di-(tert-butylperoxy)hexane is a clear, yellow liquid. (NTP, 1992)also for storage and transport mixed with inert solid.
CBI; Large Crystals; Other Solid; Liquid; Other Solid; Liquid
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
Danger
H226 (11.8%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P234, P235, P240, P241, P242, P243, P264, P264+P265, P273, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P235, P410, P411, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 524 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H242: Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]
Hazard information
Regulatory Information
Chemical: Peroxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis[(1,1-dimethylethyl)
Hazard Traits - Bioaccumulation; Environmental Persistence
Peroxide, 1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl)bis[2-(1,1-dimethylethyl) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Peroxide, 1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl)bis[2-(1,1-dimethylethyl) 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: 30-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14360
Peroxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis[(1,1-dimethylethyl) 100%: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Peroxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis[(1,1-dimethylethyl): Human health tier I assessment
DOT Label
Organic Peroxide
Organic Peroxide
Fire Hazards
Chemistry & industry
Uses & manufacturing
Uses
Used to vulcanize or cross-link elastomers and polyolefins; [EPA - TSCATS] Used as a polymer additive, crosslinking agent, for curing resins, and to make belting, rubber and plastic hose, other rubber products, and plastics; [Government of Canada: Screening Assessment]
Plastic Composites Manufacturing [Category: Industry]
U.S. Production2023: 2,500,000 - <4,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesPlasticizer
General Manufacturing Information
Plastics Product Manufacturing
Peroxide, 1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl)bis[2-(1,1-dimethylethyl): ACTIVE
Applications
UsesInitiates degradation of polypropylene, monomer scavenger in styrene polymerization. Free radical polymerization initiator.
General Description2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane, also known as trigonox 101, is a clear, yellow liquid. (NTP, 1992)also for storage and transport mixed with inert solid.
Upstream & downstream products
Upstream raw materials
Related reactions
9 records
Compound notes
Loading…