1,1-Bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane
Completing data — refresh the page later to see the latest
Basic information
- CAS
6731-36-8- Standard SMILES
CC1CC(C)(C)CC(OOC(C)(C)C)(OOC(C)(C)C)C1- InChIKey
NALFRYPTRXKZPN-UHFFFAOYSA-N- Molecular formula
- C17H34O4
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.24570957
Overview
See other relationships...
Names & identifiers
- Preferred name
- 1,1-Bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane
- IUPAC
- 1,1-bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane
- English name
- 1,1-Di-(tert-butylperoxy)-3,3,5-trimethylcyclohexane
- Molecular formula
- C17H34O4
- Molecular weight
- 302.46
Names & synonyms
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
Show more names
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
Database identifiers
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 318
Experimental & physicochemical properties
Chemical ClassesIndustrial compound
Physical DescriptionCBI; Liquid
Physicochemical properties
- Melting point
- -20 °C · -20 °C
- Boiling point
- 403.47 °C · 403.47°C (rough estimate)
- Density
- 0.895 · 0.895
- vapor pressure
- 0.009 Pa · 0.009Pa at 20℃
- refractive index
- 20 · n20/D 1.441(lit.)
- Flash point
- 62 °C · 62 °C
- storage temp.
- Refrigerator (+4°C)
- solubility
- Acetonitrile (Slightly), Chloroform (Sparingly)
- form
- Solution
- color
- Clear
- Water Solubility
- immiscible
- InChI
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
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
Hazard information
Regulatory Information
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
Org. Perox. B (91.7%)
Org. Perox. B (100%)
Organic peroxides - Type B
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 550,000 - <700,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Peroxide, 1,1'-(3,3,5-trimethylcyclohexylidene)bis[2-(1,1-dimethylethyl): ACTIVE
Applications
Uses1,1-Di-tert-butylperoxy-3,5,5-trimethylcyclohexane is a crosslinking agent that may be used in polymerization reactions.
Related reactions
5 records
Compound notes
Loading…