1,1-Bis(tert-butylperoxy)cyclohexane (HCID 76359)

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 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 18
Formal charge: 0
Complexity: 224

Experimental & physicochemical properties

Physical Description · 3 items

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: HSLFISVKRDQEBY-UHFFFAOYSA-N
SMILES: C1(CCCCC1)(OOC(C)(C)C)OOC(C)(C)C
LogP: 7.2 at · 7.2 at 25℃
CAS DataBase Reference: 3006 · 3006-86-8(CAS DataBase Reference)
FDA UNII: 62 J3E3Q4 · JK62J3E3Q4
EPA Substance Registry System: 1 · Peroxide, 1,1'-cyclohexylidenebis[2-(1,1-dimethylethyl) (3006-86-8)
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 2 · GHS02,GHS08
Signal word: Danger
Hazard statements: 242 · H242-H304-H413
Precautionary statements: 210 · P210-P234-P235-P240-P280-P273-P370+P378-P301+P310-P331-P403-P410-P411-P420-P405-P501
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: O,N,T
Risk Statements: 7 · 7-62-50/53-36/37/38-61-65-45-51/53
Safety Statements: 17 · 17-36/37/39-3/7-14A-61-60-45-26-14-53-62
RIDADR: 3103 · UN 3103 5.2
WGK Germany: 2 · 2
TSCA: TSCA listed
HazardClass: 5.2 · 5.2
PackingGroup: II
HS Code: 29096000 · 29096000
Storage Class: 4.1 A · 4.1A - Other explosive hazardous materials
Hazard Classifications: 1 Carc · Asp. Tox. 1Carc. 1BEye Irrit. 2Muta. 1BOrg. Perox. CSkin Irrit. 2STOT SE 3
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 6 items

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 · 4 items

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 · 4 items

Organic Peroxide

Organic Peroxide Explosive

Fire Hazards · 4 items

Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:

Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:

Health Hazards · 4 items

Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:

Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:

Reactive Group · 4 items

Peroxides, Organic

Reactivity Alerts · 4 items

Strong Oxidizing Agent

Explosive

Reactivity Profile · 4 items

The explosive instability of the lower dialkyl peroxides (e.g., dimethyl peroxide) and 1,1-bis-peroxides decreases rapidly with increasing chain length and degree of branching, the di-tert-alkyl derivatives being amongst the most stable class of peroxides. Though many 1,1-bis-peroxides have been reported, few have been purified because of the higher explosion hazards compared with the monofunctional peroxides. It is unlikely that this derivative would be particularly unstable compared to other peroxides in its class. [Bretherick 2nd ed., p 44 1979.]

The explosive instability of the lower dialkyl peroxides (e.g.,. dimethyl peroxide) and 1,1-bis-peroxides decreases rapidly with increasing chain length and degree of branching, the di-tert-alkyl derivatives being amongst the most stable class of peroxides. Though many 1,1-bis-peroxides have been reported, few have been purified because of the higher explosion hazards compared with the monofunctional peroxides. It is unlikely that this derivative would be particularly unstable compared to other peroxides in its class. [Bretherick 2nd ed., p 44 1979.]

The explosive instability of the lower dialkyl peroxides (e.g., dimethyl peroxide) and 1,1-bis-peroxides decreases rapidly with increasing chain length and degree of branching, the di-tert-alkyl derivatives being amongst the most stable class of peroxides. Though many 1,1-bis-peroxides have been reported, few have been purified because of the higher explosion hazards compared with the mono functional peroxides. It is unlikely that this derivative would be particularly unstable compared to other peroxides in its class. [Bretherick 2nd ed., p 44 1979.]

Safety & protection

Fire Fighting · 4 items

Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:

Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:

First Aid · 4 items

Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:

Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:

Nonfire Spill Response · 4 items

Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:

Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:

Isolation and Evacuation · 4 items

Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:

Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:

Personal Protective Equipment (PPE) · 4 items

Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:

Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 2
tsca: TSCA listed
ridadr: UN 3103 5.2
hs_code: 29096000
risk_code: 7-62-50/53-36/37/38-61-65-45-51/53
Signal word: Danger
Symbol(GHS): GHS02,GHS08
hazard_code: O,N,T
safety_code: 17-36/37/39-3/7-14A-61-60-45-26-14-53-62
hazard_class: 5.2
Storage Class: 4.1A - Other explosive hazardous materials
packing_group: II
target organs: Respiratory system
Hazard statements: H242-H304-H413
REACH Registrations: Active
Hazard Classifications: Asp. Tox. 1Carc. 1BEye Irrit. 2Muta. 1BOrg. Perox. CSkin Irrit. 2STOT SE 3
Precautionary statements: P210-P234-P235-P240-P280-P273-P370+P378-P301+P310-P331-P403-P410-P411-P420-P405-P501

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 · 2 items

Plastics Material and Resin Manufacturing

Peroxide, 1,1'-cyclohexylidenebis[2-(1,1-dimethylethyl): ACTIVE

Applications

UsesPolymerization initiator.

Suppliers50 total

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

湖北鑫杰成化工科技有限公司13554075426 · [email protected]

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].