2,5-Dimethyl-2,5-DI-(benzoylperoxy)hexane
Basic information
- CAS
2618-77-1- Standard SMILES
CC(C)(CCC(C)(C)OOC(=O)c1ccccc1)OOC(=O)c1ccccc1- InChIKey
RIPYNJLMMFGZSX-UHFFFAOYSA-N- Molecular formula
- C22H26O6
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.17293855
Overview
This solid peroxide is particularly sensitive to temperature rises and contamination. Above a given "Control Temperature" they decompose violently. It is generally stored or transported as a mixture, with an inert solid.
Names & identifiers
- Preferred name
- 2,5-Dimethyl-2,5-DI-(benzoylperoxy)hexane
- IUPAC
- (5-benzoylperoxy-2,5-dimethylhexan-2-yl) benzenecarboperoxoate
- English name
- 2,5-Dimethyl-2,5-di(benzoylperoxy)hexane
- Molecular formula
- C22H26O6
- Molecular weight
- 386.44
Names & synonyms
2,5-dimethyl-2,5-di(benzoylperoxy)hexaneEINECS 220-050-9Benzenecarboperoxoic acid, 1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl) esterDTXSID5062556Benzenecarboperoxoic acid, 1,1,4,4-tetramethyl-1,4-butanediyl ester2,5-DIMETHYL-2,5-DI-(BENZOYLPEROXY)HEXANE, (TECHNICALLY PURE)2,5-DIMETHYL-2,5-DI-(BENZOYLPEROXY)HEXANE, [TECHNICALLY PURE]KAYAESTER AB2,5-dimethyl-2,5-di-(benzoylperoxy)hexaneRefChem:444518PERHEXA 25ZLUPERSOL 118
Show more names
L-118VAROX 118VAROX 230-XLVAROX DCP-40CVAROX DCP-40KE2,5-Dimethylhexane-2,5-diperbenzoate2,5-Dimethylhexan-2,5-diyldiperbenzoat2,5-dimethylhexane-2,5-diyl diperbenzoate2,5-DIMETHYLHEXANE-2,5-DI(BENZOYLPEROXY)HEXANE
LUPEROX 118DTXCID9037458USP 711Peroxybenzoic acid, 1,1,4,4-tetramethyltetramethylene esterL 1182,5-DIBENZOYLPEROXY-2,5-DIMETHYLHEXANE2,5-DIMETHYLHEXANE-2,5-DIPEROXYBENZOATE2,5-BIS(BENZOYLDIOXY)-2,5-DIMETHYLHEXANE
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 455
Experimental & physicochemical properties
Physical DescriptionThis solid peroxide is particularly sensitive to temperature rises and contamination. Above a given "Control Temperature" they decompose violently. It is generally stored or transported as a mixture, with an inert solid.
Physicochemical properties
- Boiling point
- 529.9 · 529.9±33.0 °C(Predicted)
- Density
- 1.143 · 1.143±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 1 · Benzenecarboperoxoic acid, 1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl) ester (2618-77-1)
- RIDADR
- 3102 · 3102
- TSCA
- TSCA listed
- HazardClass
- 5.2 · 5.2
- PackingGroup
- II
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
H241: Heating may cause a fire or explosion [Danger Self-reactive substances and mixtures; Organic peroxides]
P210, P234, P235, P240, P280, P370+P380+P375[+P378], P403, P410, P411, P420, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationChemical: Benzenecarboperoxoic acid, 1,1,4,4-tetramethyl-1,4-butanediyl ester
DOT LabelOrganic Peroxide Explosive
Fire HazardsExcerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:
Health HazardsExcerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:
Reactive GroupPeroxides, Organic
Reactivity AlertsExplosive
Reactivity Profile
Peroxides, such as 2,5-DIMETHYL-2,5-DI-(BENZOYLPEROXY)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 or contamination. May ignite combustibles (wood, paper, oil, clothing, etc.). May be ignited by heat, sparks or flames.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenecarboperoxoic acid, 1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl) ester: ACTIVE
Applications
General Description2,5-DIMETHYL-2,5-DI(BENZOYLPEROXY)HEXANE is particularly sensitive to temperature rises and contamination. Above a given "Control Temperature" they decompose violently. 2,5-DIMETHYL-2,5-DI(BENZOYLPEROXY)HEXANE is generally stored or transported as a mixture, with an inert solid.
Related reactions
5 records
Compound notes
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