1,1-Bis(tert-butylperoxy)cyclohexane
Basic information
- CAS
3006-86-8- Standard SMILES
CC(C)(C)OOC1(OOC(C)(C)C)CCCCC1- InChIKey
HSLFISVKRDQEBY-UHFFFAOYSA-N- Molecular formula
- C14H28O4
- Average molar mass
- 260.37 g/mol
- Monoisotopic mass
- 260.19875938
Overview
Organic solvent solution, added to lessen explosion hazard.
Names & identifiers
- Preferred name
- 1,1-Bis(tert-butylperoxy)cyclohexane
- IUPAC
- 1,1-bis(tert-butylperoxy)cyclohexane
- English name
- 1,1-Di(tert-butylperoxy)cyclohexane
- Molecular formula
- C14H28O4
- Molecular weight
- 260.37
Names & synonyms
1,1-Bis(tert-butylperoxy)cyclohexane3006-86-8Cyclohexylidenebis(tert-butyl) peroxideUNII-JK62J3E3Q4JK62J3E3Q4EINECS 221-111-2PERHEXA CSLuperox 331M80Peroxide, 1,1'-cyclohexylidenebis(2-(1,1-dimethylethyl)EC 221-111-2PERHEXA C 40PERHEXA C 75
Show more names
1,1-bis(T-butylperoxy)cyclohexaneDP275BPerhexa-CChaloxyd PTrigonox 22Lupersol 331TRIGONOX(R) 22Luperox? 331P80
PEROXAN PK 122WTRIGONOX 22C50TRIGONOX 22E50TRIGONOX 22E70LUPEROX 331DTXSID4044907TX 22E50Cyclohexylidenebis[tert-butyl] peroxide
Database identifiers
- CAS
3006-86-8- PubChem CID
- 76359
- DTXSID
DTXSID4044907- UNII
- JK62J3E3Q4
- EC Number
- 221-111-2
- Nikkaji
- J4.394J
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
Physical Description
Organic solvent solution, added to lessen explosion hazard.
Particularly heat and contamination sensitive.
CBI; Liquid
Physicochemical properties
- Melting point
- 65 °C · 65 °C (SADT)
- Boiling point
- 52 · 52-54 °C (0.1 mmHg)
- Density
- 0.891 g/mL · 0.891 g/mL at 25 °C
- vapor pressure
- 4.88 hPa · 4.88hPa at 25℃
- refractive index
- 20 · n20/D 1.435
- Flash point
- 155 °F · 155 °F
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- color
- Clear
- Water Solubility
- miscible
- InChI
- InChI=1S/C14H28O4/c1-12(2,3)15-17-14(10-8-7-9-11-14)18-16-13(4,5)6/h7-11H2,1-6H3
- InChIKey
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 1.8% (3 of 170) of reports.
Danger
H242 (74.7%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]
P210, P234, P235, P240, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P410, P411, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 170 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
Hazard information
Regulatory Information
Chemical: Peroxide, cyclohexylidenebis[(1,1-dimethylethyl)
Peroxide, 1,1'-cyclohexylidenebis[2-(1,1-dimethylethyl) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Peroxide, 1,1'-cyclohexylidenebis[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: 15-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5875
Peroxide, cyclohexylidenebis(1,1-dimethylethyl): 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 Label
Organic Peroxide
Organic Peroxide
Organic Peroxide
Organic Peroxide Explosive
Fire Hazards
Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesCBI
General Manufacturing Information
Plastics Material and Resin Manufacturing
Peroxide, 1,1'-cyclohexylidenebis[2-(1,1-dimethylethyl): ACTIVE
Applications
UsesPolymerization initiator.
Additional notes
Definition1,1-Di (tert-butylperoxy) cyclohexane (DTBPH) is a commercial liquid organic peroxide that is to be in aliphatic hydrocarbon solvent and transported and stored under limited temperature[1].
Related reactions
6 records
Compound notes
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