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HCID 6545Erstellt: 25. Oktober 2026

Di-tert-butyl-1,1,4,4-tetramethyltetramethylendiperoxid

luperox · Trigonox 101 · DPDH · luperox101 · 2,5-Dimethyl-2,5-di · 2,5-Dimethyl-2,5-di(tert-butyl · 2,5-DIMETHYL-2,5-DI(T-BUTYL-PEROXY)HEXANE · 2,5-BIS(TERT-BUTYLPEROXY)-2,5-DIMETHYLHEXANE

https://huagongshe.com/de/chemical/6545

Molekülstruktur von Di-tert-butyl-1,1,4,4-tetramethyltetramethylendiperoxid

Identifikatoren & physikalische Daten

CAS No.78-63-7
SummenformelC16H34O4
Durchschnittliche Molmasse290,44 g/mol
Monoisotopische Masse290,24570957 g/mol
SMILESCC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C
InChIKeyDMWVYCCGCQPJEA-UHFFFAOYSA-N
PubChem CID6545
ChEMBLCHEMBL1874231
EC No.201-128-1
DTXSIDDTXSID9025110
Lokaler NameDi-tert-butyl-1,1,4,4-tetramethyltetramethylendiperoxid

Chemische & physikalische Eigenschaften

XLogP3,9
Polarare Oberfläche (TPSA)36,9
H-Brücken-Donoren0
H-Brücken-Akzeptoren4
Frei drehbare Bindungen9
Schwere Atome20
Formalladung0
Komplexität252
StoffklassenOther Classes -> Peroxides, OrganicIndustrial compound
Löslichkeitless than 1 mg/mL at 73 °F (NTP, 1992)Chloroform (Soluble), Methanol (Sparingly)immiscible
Flammpunkt185 °F (NTP, 1992)149 °F
Siedepunkt122 to 126 °F at 0.1 mmHg (NTP, 1992)55-57 °C7 mm Hg(lit.)
Schmelzpunkt46 °F (NTP, 1992)6 °C
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFRFCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
Physical Description2,5-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.CBILarge CrystalsOther SolidClear yellow liquid[CAMEO] Liquid[Sigma-Aldrich MSDS]
Dichte0.877 g/mL at 25 °C(lit.)
Dampfdruck0.002Pa at 20℃
Brechungsindexn20/D 1.423(lit.)
Lagerbedingungen2-8°C
AggregatzustandOil
FarbeColourless
Henry-Konstante3.9×10-3 mol/(m3Pa) at 25℃, Zhang et al. (2010)
StabilitätUnstable. May contain an inhibitor. Incompatible with strong oxidizing agents, acids, reducing agents, organic materials, powdered metals.
InChI1S/C16H34O4/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6/h11-12H2,1-10H3
InChIKeyDMWVYCCGCQPJEA-UHFFFAOYSA-N
SMILESCC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C
LogP (Verteilungskoeffizient)7.34 at 20℃
CAS Datenbank78-63-7(CAS DataBase Reference)
EPA chemische Informationen2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane (78-63-7)

Sicherheit & Vorschriften

GHS-EinstufungDangerH226 (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.H242: Heating may cause a fire [Danger Self-reactive substances and mixturesOrganic peroxides]
Regulatorische InformationenChemical: Peroxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis[(1,1-dimethylethyl)Hazard Traits - BioaccumulationEnvironmental PersistencePeroxide, 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/14360Peroxide, (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
Weitere SicherheitsinformationenIMAP assessments - Peroxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis[(1,1-dimethylethyl): Human health tier I assessment
DOT-KennzeichnungOrganic Peroxide
BrandgefahrenExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
GesundheitsgefahrenExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
GefahrenübersichtIncreased liver weights with corresponding hepatocellular hypertrophy observed in 7-day oral study of rats[EPA - TSCATS] A strong oxidizing agent that can ignite combustible materialsMay explode if heated or contaminated[CAMEO] A skin and eye irritant[NTP] May explode from shock, friction, or heatA skin irritant[ECHA REACH Registrations] An unstable oxidizer that may cause fireAn irritant[Sigma-Aldrich MSDS] See 1,4-Bis(alpha-(t-butyldioxy)isopropyl)benzene, Di-tert-butyl peroxide, and Methyl ethyl ketone peroxide.
Reaktive GruppePeroxides, Organic
Reactivity AlertsStrong Oxidizing AgentExplosive
Reactivity ProfilePeroxides, such as 2,5-DIMETHYL-2,5-DI-(TERT-BUTYLPEROXY)HEXANE, 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. Danger of explosion when dry. May explode from heat, shock, friction or contamination. May ignite combustibles (wood, paper, oil, clothing, etc.). May be ignited by heat, sparks or flames.Peroxides, such as 2,5-DIMETHYL-2,5-DI-(TERT-BUTYLPEROXY)HEXANE, 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. Danger of explosion when dry. This compound may react violently on exposure to heat, shock or reducing agents. (NTP, 1992)
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesFlam. Liq. 3 (11.8%)Flammable liquids - Category 4Organic peroxides - Type C
BrandbekämpfungExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Erste HilfeExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Freisetung ohne BrandExcerpt 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)]:RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Unerwünschte WirkungenOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Wassergefährdungsklasse (WGK)1
TSCA-Inventar-StatusTSCA listed
UN-TransportnummerUN 3108 5.2
Zollcode29012990
RTECS-Nr.MO1835000
R-Sätze (R)8-36/37/38-7-36/38-10-41-37/38-68-38-2
GefahrensymboleO,Xn,Xi,E
Sicherheitshinweise (S)7-17-36/37/39-3/7-26-14A-47-14-36/37-35
Gefahrenklasse5.2Muta. 2Org. Perox. CSkin Irrit. 2
VerpackungsgruppeII
Lagerklasse4.1A - Other explosive hazardous materials