Grundinformationen
- 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
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
78-63-7- PubChem CID
- 6545
- DTXSID
DTXSID9025110- ChEMBL
CHEMBL1874231- UNII
- 923755EYY5
- EC Number
- 201-128-1
- Nikkaji
- J2.829K
Eigenschaften
Berechnete Struktureigenschaften
- 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
Other Classes -> Peroxides, Organic
Industrial compound
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
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)
Sicherheit und Regulatorisches
GHS-Klassifizierung
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]
Gefahrenhinweise
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
DOT Label
Organic Peroxide
Organic Peroxide
Fire Hazards
Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Health Hazards
Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Hazards Summary
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
Peroxides, Organic
Peroxides, Organic
Reactivity Alerts
Strong Oxidizing Agent
Explosive
Reactivity Profile
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
Insoluble in water.
Insoluble in water.
Hazard Classes and Categories
Flam. Liq. 3 (11.8%)
Flammable liquids - Category 4
Organic peroxides - Type C
Sicherheit und Schutzausrüstung
Fire Fighting
Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
First Aid
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
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
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)
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
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
Chemie und Industrie
Verwendung und Herstellung
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]
General Manufacturing Information
Plastics Product Manufacturing
Peroxide, 1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl)bis[2-(1,1-dimethylethyl): ACTIVE
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