ビス(1-フェニル-1-メチルエチル)ペルオキシド

Dicumyl peroxide

HCID 6641CAS 80-43-3

基本情報

標準SMILES
CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1
InChIKey
XMNIXWIUMCBBBL-UHFFFAOYSA-N
分子式
C18H22O2
平均分子量
270.4 g/mol
単同位体質量
270.16197994

概要

Dicumyl peroxide is a white powder with a characteristic odor. (NTP, 1992)

名称と識別子

優先名称
Dicumyl peroxide
IUPAC
2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
現地名
ビス(1-フェニル-1-メチルエチル)ペルオキシド
英語名
Dicumyl peroxide
分子式
C18H22O2
分子量
270.37

名称と別名

DICUMYL PEROXIDE80-43-3Cumene peroxideCumyl peroxidedicumylperoxideDi-CupPerkadox BPerkadox BCPercumyl DPerkadox SBDicumenyl peroxideLuperco
名称をさらに表示
過酸化ジクミルビス(1-メチル-1-フェニルエチル)=ペルオキシドビス(1-フェニル-1-メチルエチル)ペルオキシドビス(α,α-ジメチルベンジル)ペルオキシドジクミルペルオキシドジ(α-クミル)ペルオキシドビス(1-メチル-1-フェニルエチル)ペルオキシドペルカドックスBCビス(2-フェニルプロパン-2-イル)ペルオキシドジカップペルカドックスBクメンペルオキシドジαクミルパ-オキサイドジ-α-クミルパーオキサイドジクミルパーオキサイドジクミルペルオキシド (約60% 炭酸カルシウム含む)ビス(1-メチル-1-フェニルエチル)ペルオキシド (約60% 炭酸カルシウム含む)ビス(α,α-ジメチルベンジル)ペルオキシド (約60% 炭酸カルシウム含む)2-フェニル-2-[(2-フェニルプロパン-2-イル)ペルオキシ]プロパン{2-[(2-フェニルプロパン-2-イル)ペルオキシ]プロパン-2-イル}ベンゼンDCPBIS(1-METHYL-1-PHENYLETHYL)PEROXIDEBis(α,α-dimethylbenzyl) peroxide(peroxybis(propane-2,2-diyl))dibenzeneDicumyl peroxyidecumeneperoxideBIS(A A-DIMETHYLBENZYL) PEROXIDEdicup40di-cupr
LuperoxPercumyl D 40Kayacumyl DLuperox 500Luperox 500RLuperox 500TDicumene hydroperoxideDiisopropylbenzene peroxide

データベース識別子

CAS
80-43-3
PubChem CID
6641
DTXSID
DTXSID1025017
ChEMBL
CHEMBL1519055
UNII
M51X2J0U9D
EC Number
201-279-3
Nikkaji
J2.836C

物性

構造計算による物性

XLogP
4.3
極性表面積
18.5 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
5
重原子数
20

実験および物理化学的性質

PolymersPlastics & Rubber -> Curing Agents (Aromatic)
CosmeticsCosmetics ingredient -> Fragrance
LogP · 2 件

log Kow = 5.50

5.5

Density · 2 件

1.02

1.0 g/cm³

Color/Form · 2 件

Crystals from ethanol

Pale yellow to white granular solid

Solubility · 3 件

less than 1 mg/mL at 73 °F (NTP, 1992)

In water, 0.4 mg/L at 25 °C

Solubility in water: none

物理化学的性質

融点
39 · 39-41 °C (lit.)
沸点
130 °C · 130°C
比重(密度)
1.56 g/mL · 1.56 g/mL at 25 °C (lit.)
蒸気密度
9.3 · 9.3 (vs air)
蒸気圧
15.4 mm · 15.4 mm Hg ( 38 °C)
屈折率
1.536 · 1.5360
化学的性質 · 1 件

化学的特性Dicumyl peroxide is a crystalline solid that melts at 42°C. It is insoluble in water and soluble in vegetable oil and organic solvents . It is used as a high-temperature catalyst in production of polystyrene plastics. The deflagration hazard potential of this peroxide was tested using 5 g of igniter in the revised time–pressure test, but no pressure rise was produced . Noller et al. found it to be an intermediate fire hazard.

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

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

P203, P210, P234, P235, P240, P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403, P405, P410, P411, P420, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1287) of reports.

Danger

H242 (> 99.9%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]

危険有害性情報

Regulatory Information · 6 件

Chemical: Peroxide, bis(1-methyl-1-phenylethyl)

Hazard Traits - Reproductive Toxicity

Peroxide, bis(1-methyl-1-phenylethyl) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Peroxide, bis(1-methyl-1-phenylethyl) 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: 26-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14703

Substance: Bis(α,α-dimethylbenzyl) peroxide

Peroxide, bis(1-methyl-1-phenylethyl): Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Peroxide, bis(1-methyl-1-phenylethyl) (dicumyl peroxide)
DOT LabelOrganic Peroxide
Fire Hazards · 2 件

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

Combustible. Finely dispersed particles form explosive mixtures in air.

Fire Potential · 2 件

... May ignite organic materials on contact.

Dangerous fire hazard by chemical reaction with reducing agents or exposure to heat. /Organic peroxides/

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

安全と保護具

Fire Fighting · 2 件

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

Use water spray, powder, foam, carbon dioxide.

First Aid Measures · 4 件

Fresh air, rest.

First rinse with plenty of water for at least 15 minutes, then remove contaminated clothes and rinse again.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Give one or two glasses of water to drink. Refer for medical attention .

First Aid · 1 件

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.

Safe StorageFireproof. Separated from combustible substances, reducing agents, strong oxidants, strong acids, bases and heavy metals. Cooled. Keep in the dark. Well closed. Keep under inert gas.
Firefighting HazardsCarbon oxides
Fire Fighting ProceduresUse water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Wear self-contained breathing apparatus for firefighting if necessary. Use water spray to cool unopened containers.

毒性情報

Interactions · 1 件

Changes in the nasal mucosa after exposure to dicumyl peroxide ... were studied in rabbits. Albino Swedish rabbits were exposed to a mixture of fine polyethylene, ... dicumyl peroxide and an antioxidant or to dicumyl peroxide. Both were applied to the right nostril 3 times a day for 5 days per week at a concentration of 10 or 25 ppm in a quantity equal to 50 microliters of solution. Animals were exposed for 4 weeks and allowed to recover for 8 weeks with periodic examinations beginning at 1 hr. Signs of local irritation or damage were observed. Biopsies of the nasal mucosa were studied by light and transmission electron microscopy and by scanning microscopy. After 1 hr an increased amount of mucus containing red blood cells were seen. After 1 week exposure to either 10 ppm dicumylperoxide or 25 ppm dust an increased number of blood vessels was seen in some animals and aggregates of mucus with erythrocytes were found in all animals. At 1 month there were visible blood vessels on the medial and lateral sides of the nasal cavity not seen in unexposed rabbits. Exposure to dust at 10 ppm for 1 month did not result in any apparent changes in the mucosa. After instillation of dicumyl peroxide or the dust at 25 ppm for 1 month and a 2 month recovery, visible blood vessels were still observed and there was incr crusting and mucus in the nasal cavities of all rabbits. Scanning electron microscopy showed distortion of many cilia beginning as early as 1 hr after exposure. At 5 days areas lacking cilia but still covered with microvilli and areas with clusters of goblet cells appeared. Changes in the mucosa were more pronounced at 1 month with scattered islands without cilia in the mucosal carpet. Only partial recovery was apparent at 2 months after exposure terminated. ...

Environmental Fate · 3 件

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 322,900(SRC), determined from a structure estimation method(2), indicates that dicumyl peroxide is expected to be immobile in soil(SRC). Volatilization of dicumyl peroxide from moist soil surfaces is expected(SRC) given an estimated Henry's Law constant of 4.4X10-5 atm-cu m/mole(SRC), using a fragment constant estimation method(2). However, adsorption to soil is expected to attenuate volatilization(SRC). Dicumyl peroxide is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 7.5X10-6 mm Hg at 25 °C(SRC), determined from a fragment constant method(2). Based on a 0% Theoretical BOD in 4 weeks using an activated sludge inoculum in the Japanese MITI test(3), biodegradation of dicumyl peroxide is not expected to be an important enviornmental fate process in soil(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 322,900(SRC), determined from a structure estimation method(2), indicates that dicumyl peroxide is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 4.4X10-5 atm-cu m/mole(SRC), developed using a fragment constant estimation method(2). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 37 hours and 16 days, respectively(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The volatilization half-life from a model pond is about 21 years when adsorption is considered(4). According to a classification scheme(5), BCFs of 137-1470 measured in carp(6), suggest bioconcentration in aquatic organisms is high to very high. Based on a 0% Theoretical BOD in 4 weeks using an activated sludge inoculum in the Japanese MITI test(6), biodegradation of dicumyl peroxide is not expected to be an important enviornmental fate process in water(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), dicumyl peroxide, which has an estimated vapor pressure of 7.5X10-6 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase dicumyl peroxide is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 42 hours(SRC), calculated from its rate constant of 9.3X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(2). Particulate-phase dicumyl peroxide may be removed from the air by wet and dry deposition(SRC). Dicumyl peroxide has the potential to photolyze directly from natural sunlight based on UV absorption bands that extend beyond 290 nm(3).

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Exposure RoutesThe substance can be absorbed into the body by inhalation of its aerosol.
Toxicity Summary · 1 件

IDENTIFICATION AND USE: Dicumyl peroxide is a pale yellow to white granular solid. It is used as a polymerization catalyst and vulcanizing agent. HUMAN STUDIES: Organic peroxides in contact with skin can cause irritation and even burns. A case of occupational asthma related to dicumyl peroxide has been reported. Otorhinolaryngologic examination revealed upper respiratory tract diseases in 33.3% of the workers exposed to dicumyl peroxide. ANIMAL STUDIES: In the most severe injuries induced in rabbit eyes there has been great chemosis and formation of gas bubbles in the conjunctiva, cornea, and anterior chamber. Conjunctiva has become necrotic and the cornea opaque. Dicumyl peroxide was a weak tumor promoter despite its high activity in inducing hyperplasia. Tumor promotion activity of organic peroxides is associated with free radical generation. Dicumyl peroxide causes more than 50% of malformed embryos at any dose in white Leghorn chicken embryos. Dicumyl peroxide gave inconsistent results when tested for mutagenicity using Salmonella typhimurium tester strains TA100 and TA104.

Signs and Symptoms · 3 件

Cough. Sore throat.

Redness.

Redness.

法規制情報

FDA RequirementsDicumyl peroxide is an indirect food additive for use only as a component of adhesives.

安全データ

F
4.2
wgk
2
tsca
TSCA listed
rtecs
SD8150000
ridadr
UN 3110 5.2
毒性
LD50 orally in Rabbit: 4100 mg/kg

化学と産業

薬理情報

Absorption, Distribution and ExcretionLiquid peroxides can be absorbed through skin. /Organic peroxides/

用途と製造

Uses · 3 件

Used as vulcanizing agent for rubber, a crosslinking agent for polyethylene, a synergist for flame retardants in polystyrene foams, and a curing agent for silicone rubber; [HSDB]

VULCANIZING AGENT FOR NATURAL & SYNTHETIC RUBBER; CROSSLINKING AGENT FOR POLYETHYLENE; SYNERGIST FOR FLAME RETARDANTS IN POLYSTYRENE FOAMS; CURING AGENT FOR SILICONE RUBBER

Polymerization catalyst and vulcanizing agent

U.S. Production · 3 件

2023: 5,000,000 - <10,000,000 lb

(1975) GREATER THAN 4.54X10+5 GRAMS

Non-confidential 2016 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Peroxide, bis(1-methyl-1-phenylethyl):

Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesCBI
Methods of Manufacturing · 2 件

The reaction of cumene hydroperoxide with 2-phenyl-2-propanol in the presence of a mineral acid catalyst gives dicumyl peroxide in almost quantitative yield.

AUTOOXIDATION OF CUMENE

Formulations/Preparations"Di-cup" [GEO]. Trademark for a series of vulcanizing and polymerization agents containing dicumyl peroxide.
応用分野 · 3 件

用途有機過酸化物(重合触媒)

使用Dicumyl peroxide(DCP) is used:in vulcanization of rubber as a crosslinking agent in the synthesis of polylactic acid composite fibers in the preparation of polyethylene composites in the synthesis of polyamide 112/ethylene vinyl acetate copolymer blends.

一般的な説明Dicumyl peroxide is a pale yellow to white granular solid with a characteristic odor. It is used as a polymerization catalyst and vulcanizing agent.

調製方法

純化方法Crystallise the peroxide from 95% EtOH (charcoal). Store it at 0o. Potentially EXPLOSIVE. [Beilstein 6 IV 3220.]

関連反応

45 件

関連ノート

読み込み中…