2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane

HCID 6545CAS 78-63-7

Basic information

Standard SMILES
CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C
InChIKey
DMWVYCCGCQPJEA-UHFFFAOYSA-N
Molecular formula
C16H34O4
Average molar mass
290.44 g/mol
Monoisotopic mass
290.24570957

Overview

2,5-dimethyl-2,5-di-(tert-butylperoxy)hexane, [<= 52% with inert solid] is a clear, yellow liquid. (NTP, 1992)also for storage and transport mixed with inert solid.

Names & identifiers

Preferred name
2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane
IUPAC
2,5-bis(tert-butylperoxy)-2,5-dimethylhexane
English name
2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane
Molecular formula
C16H34O4
Molecular weight
290.44

Names & synonyms

78-63-72,5-Dimethyl-2,5-di(tert-butylperoxy)hexane2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexaneVaroxPerhexa 3M40Trigonox 101-101/45CCRIS 4626DTXSID9025110EINECS 201-128-1NSC 38203BRN 1863369UNII-923755EYY5
Show more names
luperoxTrigonox 101DPDHluperox1012,5-Dimethyl-2,5-di2,5-Dimethyl-2,5-di(tert-butyl2,5-DIMETHYL-2,5-DI(T-BUTYL-PEROXY)HEXANE2,5-BIS(TERT-BUTYLPEROXY)-2,5-DIMETHYLHEXANE2,5-DIMETHYL-2,5-BIS(TERT-BUTYLPEROXY)HEXANE2,5-Bis(tert-butyl peroxide)-2,5-dimethyhexane
VAROX DBPHNSC-38203Hexane, 2,5-dimethyl-2,5-di(tert-butylperoxy)-923755EYY52,5-Dimethyl-2,5-bis(tert-butylhydroperoxy)hexaneDTXCID005110EC 201-128-1Peroxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis((1,1-dimethylethyl)

Database identifiers

CAS
78-63-7
PubChem CID
6545
DTXSID
DTXSID9025110
ChEMBL
CHEMBL1874231
UNII
923755EYY5
EC Number
201-128-1
Nikkaji
J2.829K

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
36.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
20

Experimental & physicochemical properties

Chemical Classes · 2 items

Other Classes -> Peroxides, Organic

Industrial compound

Solubilityless than 1 mg/mL at 73 °F (NTP, 1992)
Flash Point185 °F (NTP, 1992)
Boiling Point122 to 126 °F at 0.1 mmHg (NTP, 1992)
Melting Point46 °F (NTP, 1992)
Food Contact Substances · 3 items

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

Physicochemical properties

Melting point
6 °C · 6 °C
Boiling point
55 · 55-57 °C7 mm Hg(lit.)
Density
0.877 g/mL · 0.877 g/mL at 25 °C(lit.)
vapor pressure
0.002 Pa · 0.002Pa at 20℃
refractive index
20 · n20/D 1.423(lit.)
Flash point
149 °F · 149 °F

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H226 (11.8%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P234, P235, P240, P241, P242, P243, P264, P264+P265, P273, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P235, P410, P411, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 524 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H242: Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]

Hazard information

Regulatory Information · 5 items

Chemical: Peroxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis[(1,1-dimethylethyl)

Hazard Traits - Bioaccumulation; Environmental Persistence

Peroxide, 1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl)bis[2-(1,1-dimethylethyl) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Peroxide, 1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl)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: 30-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14360

Peroxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis[(1,1-dimethylethyl) 100%: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Peroxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis[(1,1-dimethylethyl): Human health tier I assessment
DOT Label · 2 items

Organic Peroxide

Organic Peroxide

Fire Hazards · 2 items

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

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

Health Hazards · 2 items

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

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

Hazards Summary · 1 item

Increased liver weights with corresponding hepatocellular hypertrophy observed in 7-day oral study of rats; [EPA - TSCATS] A strong oxidizing agent that can ignite combustible materials; May explode if heated or contaminated; [CAMEO] A skin and eye irritant; [NTP] May explode from shock, friction, or heat; A skin irritant; [ECHA REACH Registrations] An unstable oxidizer that may cause fire; An irritant; [Sigma-Aldrich MSDS] See 1,4-Bis(alpha-(t-butyldioxy)isopropyl)benzene, Di-tert-butyl peroxide, and Methyl ethyl ketone peroxide.

Safety & protection

Fire Fighting · 2 items

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

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

First Aid · 2 items

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

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 2 items

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

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

Isolation and Evacuation · 2 items

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

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

Personal Protective Equipment (PPE) · 2 items

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

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Toxicology

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
1
tsca
TSCA listed
rtecs
MO1835000
ridadr
UN 3108 5.2
hs_code
29012990

Chemistry & industry

Uses & manufacturing

Uses · 2 items

Used to vulcanize or cross-link elastomers and polyolefins; [EPA - TSCATS] Used as a polymer additive, crosslinking agent, for curing resins, and to make belting, rubber and plastic hose, other rubber products, and plastics; [Government of Canada: Screening Assessment]

Plastic Composites Manufacturing [Category: Industry]

U.S. Production2023: 2,500,000 - <4,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesPlasticizer
General Manufacturing Information · 2 items

Plastics Product Manufacturing

Peroxide, 1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl)bis[2-(1,1-dimethylethyl): ACTIVE

Applications

UsesInitiates degradation of polypropylene, monomer scavenger in styrene polymerization. Free radical polymerization initiator.

General Description2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane, also known as trigonox 101, is a clear, yellow liquid. (NTP, 1992)also for storage and transport mixed with inert solid.

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]
上海策嵘生物科技有限公司[email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]

Related reactions

9 records

Linked notes

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