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

2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane

HCID 6545
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Grundinformationen

CAS
78-63-7
Standard-SMILES
CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C
InChIKey
DMWVYCCGCQPJEA-UHFFFAOYSA-N
Summenformel
C16H34O4
Durchschnittliche Molmasse
290,44 g/mol
Monoisotopische Masse
290,24570957

Überblick

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.

Namen und Bezeichner

Bevorzugter Name
2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane
IUPAC
2,5-bis(tert-butylperoxy)-2,5-dimethylhexane
Lokaler Name
Di-tert-butyl-1,1,4,4-tetramethyltetramethylendiperoxid
Englischer Name
2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane
Summenformel
C16H34O4
Molmasse
290.44

Namen und Synonyme

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
Weitere Namen anzeigen
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)

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
3,9
Polarare Oberfläche (TPSA)
36,9 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
9
Schwere Atome
20
Formalladung
0
Komplexität
252

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

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 · 3 Einträge

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 · 4 Einträge

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.

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 6 Einträge

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]

Gefahrenhinweise

Regulatory Information · 5 Einträge

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 · 2 Einträge

Organic Peroxide

Organic Peroxide

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

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 · 2 Einträge

Plastics Product Manufacturing

Peroxide, 1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl)bis[2-(1,1-dimethylethyl): ACTIVE

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

WasserstoffperoxidNickel2-Methylpentan-2,4-diolDimethylhexynediol2,5-Dimethylhexan-2,5-dihydroperoxid

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Datenbank-Bezeichner

CAS
78-63-7
PubChem CID
6545
DTXSID
DTXSID9025110
ChEMBL
CHEMBL1874231
UNII
923755EYY5
EC Number
201-128-1
Nikkaji
J2.829K

CBI; Large Crystals; Other Solid; Liquid; Other Solid; Liquid

Clear yellow liquid; [CAMEO] Liquid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
6 °C · 6 °C
Siedepunkt
55 · 55-57 °C7 mm Hg(lit.)
Dichte
0.877 g/mL · 0.877 g/mL at 25 °C(lit.)
Dampfdruck
0.002 Pa · 0.002Pa at 20℃
Brechungsindex
20 · n20/D 1.423(lit.)
Flammpunkt
149 °F · 149 °F
storage temp.
2 · 2-8°C
Löslichkeit
Chloroform (Soluble), Methanol (Sparingly)
Aggregatzustand
Oil
Farbe
Colourless
Wasserlöslichkeit
immiscible
Henry's Law Constant
3.9 · 3.9×10-3 mol/(m3Pa) at 25℃, Zhang et al. (2010)
Stabilität
Unstable. May contain an inhibitor. Incompatible with strong oxidizing agents, acids, reducing agents, organic materials, powdered metals.
InChI
1S/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
InChIKey
DMWVYCCGCQPJEA-UHFFFAOYSA-N
SMILES
CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C
LogP
7.34 at · 7.34 at 20℃
CAS Datenbank
78 · 78-63-7(CAS DataBase Reference)
EPA chemische Informationen
2 · 2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane (78-63-7)
Fire Hazards · 2 Einträge

Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:

Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:

Health Hazards · 2 Einträge

Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:

Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:

Hazards Summary · 1 Eintrag

Increased liver weights with corresponding hepatocellular hypertrophy observed in 7-day oral study of rats; [EPA - TSCATS] A strong oxidizing agent that can ignite combustible materials; May explode if heated or contaminated; [CAMEO] A skin and eye irritant; [NTP] May explode from shock, friction, or heat; A skin irritant; [ECHA REACH Registrations] An unstable oxidizer that may cause fire; An irritant; [Sigma-Aldrich MSDS] See 1,4-Bis(alpha-(t-butyldioxy)isopropyl)benzene, Di-tert-butyl peroxide, and Methyl ethyl ketone peroxide.

Reactive Group · 2 Einträge

Peroxides, Organic

Peroxides, Organic

Reactivity Alerts · 2 Einträge

Strong Oxidizing Agent

Explosive

Reactivity Profile · 2 Einträge

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. 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 Reactions · 2 Einträge

Insoluble in water.

Insoluble in water.

Hazard Classes and Categories · 3 Einträge

Flam. Liq. 3 (11.8%)

Flammable liquids - Category 4

Organic peroxides - Type C

Sicherheit und Schutzausrüstung

Fire Fighting · 2 Einträge

Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:

Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:

First Aid · 2 Einträge

Excerpt 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.

Nonfire Spill Response · 2 Einträge

Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:

Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:

Isolation and Evacuation · 2 Einträge

Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:

Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:

Personal Protective Equipment (PPE) · 2 Einträge

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)

Toxikologische Informationen

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

Sicherheitsdaten

wgk
1
tsca
TSCA listed
ridadr
UN 3108 5.2
hs_code
29012990
RTECS-Nr.
MO1835000
risk_code
8-36/37/38-7-36/38-10-41-37/38-68-38-2
hazard_code
O,Xn,Xi,E
safety_code
7-17-36/37/39-3/7-26-14A-47-14-36/37-35
hazard_class
5.2
packing_group
II
Speicherklasse
4.1A - Other explosive hazardous materials
Hazard Classifications
Muta. 2Org. Perox. CSkin Irrit. 2