2,5-Dimethylhexan-2,5-dihydroperoxid

2,5-Dimethylhexane 2,5-dihydroperoxide

HCID 520470CAS 3025-88-5

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Grundinformationen

Standard-SMILES: CC(C)(CCC(C)(C)OO)OO
InChIKey: JGBAASVQPMTVHO-UHFFFAOYSA-N
Summenformel: C8H18O4
Durchschnittliche Molmasse: 178,23 g/mol
Monoisotopische Masse: 178,12050905

Namen und Bezeichner

Bevorzugter Name: 2,5-Dimethylhexane 2,5-dihydroperoxide
IUPAC: 2,5-dihydroperoxy-2,5-dimethylhexane
Lokaler Name: 2,5-Dimethylhexan-2,5-dihydroperoxid
Englischer Name: 2,5-DIMETHYLHEXANE-2,5-DIHYDROPEROXIDE
Summenformel: C8H18O4
Molmasse: 178.23

Namen und Synonyme

2,5-Dimethylhexane-2,5-dihydroperoxide2,5-Dimethylhexane 2,5-dihydroperoxideHydroperoxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis-Hydroperoxide, 1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl)bis-RefChem:444583221-184-03025-88-52,5-DIMETHYL-2,5-DIHYDROPEROXYHEXANE2,5-dihydroperoxy-2,5-dimethylhexaneLuperox 2,5-2,52,5-dimethylhexane-2,5-diperoxolEINECS 221-184-0

Weitere Namen anzeigen

LUPEROX2,5-2,52,5-BIS(HYDROPEROXY)2,5-DIMETHYLHEXANE2,5-Dimethylhexane-2,5-dihydroxyperoxide2,5-Dimethylhexane-2,5-diyldihydroperoxide2,5-Dimethylhexane-2,5-diyl bis(hydroperoxide)dimethylhexanedihydroperoxide,with18%ormorewater1,1,4,4-tetramethyltetramethylene dihydroperoxide

SCHEMBL70932DTXSID30871881Dimethylhexane dihydroperoxide (dry)AKOS0062743222,5-dimethyl-2,5-dihydroperoxy hexane2,5-dimethyl-2,5-dihydroperoxy-hexane2,5-di(hydroperoxy)-2,5-dimethylhexane2,5-Dimethyl-2,5-bis-(hydroperoxy)hexane

Datenbank-Bezeichner

CAS: 3025-88-5
PubChem CID: 520470
DTXSID: DTXSID30871881
EC Number: 221-184-0
Nikkaji: J3.045G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 58,9 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 5
Schwere Atome: 12
Formalladung: 0
Komplexität: 115

Physikochemische Eigenschaften

Schmelzpunkt: 105 °C · 105 °C
Siedepunkt: 230.46 °C · 230.46°C (rough estimate)
Dichte: 1.0268 · 1.0268 (rough estimate)
Brechungsindex: 1.4209 · 1.4209 (estimate)
pka: 12.28 · 12.28±0.50(Predicted)
EPA chemische Informationen: 1 · Hydroperoxide, 1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl)bis- (3025-88-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 8.9% (4 of 45) of reports.

Danger

H240 (86.7%): Heating may cause an explosion [Danger Self-reactive substances and mixtures; Organic peroxides]

P210, P234, P235, P240, P280, P370+P372+P380+P373, P403, P410, P411, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 4 of 45 reports by companies.；There are 3 notifications provided by 41 of 45 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Hydroperoxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis-

Hydroperoxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

DOT Hazard Classification · 2 Einträge

2,5-Dimethyl-2,5-dihydroperoxy hexane, with more than 82 percent with water

Forbidden explosives/materials (49 eCFR § 173.54/§ 173.21)

Hazard Classes and CategoriesOrg. Perox. A (86.7%)