Di-tert-butyl-3,3,5-trimethylcyclohexylidendiperoxid

1,1-Bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane

HCID 93038CAS 6731-36-8

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Grundinformationen

Standard-SMILES: CC1CC(C)(C)CC(OOC(C)(C)C)(OOC(C)(C)C)C1
InChIKey: NALFRYPTRXKZPN-UHFFFAOYSA-N
Summenformel: C17H34O4
Durchschnittliche Molmasse: 302,4 g/mol
Monoisotopische Masse: 302,24570957

Überblick

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Namen und Bezeichner

Bevorzugter Name: 1,1-Bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane
IUPAC: 1,1-bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane
Lokaler Name: Di-tert-butyl-3,3,5-trimethylcyclohexylidendiperoxid
Englischer Name: 1,1-Di-(tert-butylperoxy)-3,3,5-trimethylcyclohexane
Summenformel: C17H34O4
Molmasse: 302.46

Namen und Synonyme

1,1-Bis(tert-butylperoxy)-3,3,5-trimethylcyclohexaneCCRIS 6844Di-tert-butyl 3,3,5-trimethylcyclohexylidene diperoxideDTXSID4020165Peroxide, (3,3,5-trimethylcyclohexylidene)bis((1,1-dimethylethyl)peroxide, (3,3,5-trimethylcyclohexylidene)bis[(1,1-dimethylethyl)Peroxide, 1,1'-(3,3,5-trimethylcyclohexylidene)bis(2-(1,1-dimethylethyl)Peroxide, 1,1'-(3,3,5-trimethylcyclohexylidene)bis[2-(1,1-dimethylethyl)RefChem:409722DTXCID80165229-782-3946-237-1

Weitere Namen anzeigen

TMCH29perhexa3mVAROX 231luperco231glupersol231perhexa3m40

6731-36-8Luperox 2311,1-Bis(t-butylperoxy)-3,3,5-trimethylcyclohexane1,1-di-(tert-butylperoxy)-3,3,5-trimethylcyclohexanePerhexa 3MTrigonox 29Luperco 231GLupersol 231

Datenbank-Bezeichner

CAS: 6731-36-8、6731-86-8
PubChem CID: 93038
DTXSID: DTXSID4020165
EC Number: 229-782-3、946-237-1
Nikkaji: J3.090B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5
Polarare Oberfläche (TPSA): 36,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 6
Schwere Atome: 21
Formalladung: 0
Komplexität: 318

Experimentelle und physikochemische Eigenschaften

Chemical ClassesIndustrial compound

Physical DescriptionCBI; Liquid

Physikochemische Eigenschaften

Schmelzpunkt: -20 °C · -20 °C
Siedepunkt: 403.47 °C · 403.47°C (rough estimate)
Dichte: 0.895 · 0.895
Dampfdruck: 0.009 Pa · 0.009Pa at 20℃
Brechungsindex: 20 · n20/D 1.441(lit.)
Flammpunkt: 62 °C · 62 °C
storage temp.: Refrigerator (+4°C)
Löslichkeit: Acetonitrile (Slightly), Chloroform (Sparingly)
Aggregatzustand: Solution
Farbe: Clear
Wasserlöslichkeit: immiscible
InChI: InChI=1S/C17H34O4/c1-13-10-16(8,9)12-17(11-13,20-18-14(2,3)4)21-19-15(5,6)7/h13H,10-12H2,1-9H3
InChIKey: NALFRYPTRXKZPN-UHFFFAOYSA-N
SMILES: O(C1(CC(C)CC(C)(C)C1)OOC(C)(C)C)OC(C)(C)C
LogP: 7 at · 7 at 25℃
CAS Datenbank: 6731 · 6731-36-8(CAS DataBase Reference)
EPA chemische Informationen: 1 · Peroxide, 1,1'-(3,3,5-trimethylcyclohexylidene)bis[2-(1,1-dimethylethyl) (6731-36-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 8.3% (20 of 240) of reports.

Danger

H241 (91.7%): Heating may cause a fire or explosion [Danger Self-reactive substances and mixtures; Organic peroxides]

P210, P234, P235, P240, P273, P280, P370+P380+P375[+P378], P391, P403, P410, P411, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 240 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

Gefahrenhinweise

Regulatory Information · 5 Einträge

Chemical: Peroxide, (3,3,5-trimethylcyclohexylidene)bis[(1,1-dimethylethyl)

Hazard Traits - Bioaccumulation; Environmental Persistence

Peroxide, 1,1'-(3,3,5-trimethylcyclohexylidene)bis[2-(1,1-dimethylethyl) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Peroxide, 1,1'-(3,3,5-trimethylcyclohexylidene)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: 16-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13187

Peroxide, (3,3,5-trimethylcyclohexylidene)bis(1,1-dimethylethyl)-, â¤57% in dibutyl phthalate â¥43%: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Peroxide, (3,3,5-trimethylcyclohexylidene)bis[(1,1-dimethylethyl): Human health tier I assessment

Hazard Classes and Categories · 3 Einträge

Org. Perox. B (91.7%)

Org. Perox. B (100%)

Organic peroxides - Type B