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2,5-ジメチルー2,5-ビス(t-ブチルパーオキシ)ヘキサン

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

HCID 6545
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
78-63-7
標準SMILES
CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C
InChIKey
DMWVYCCGCQPJEA-UHFFFAOYSA-N
分子式
C16H34O4
平均分子量
290.44 g/mol
単同位体質量
290.24570957

概要

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.

名称と識別子

優先名称
2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane
IUPAC
2,5-bis(tert-butylperoxy)-2,5-dimethylhexane
現地名
2,5-ジメチルー2,5-ビス(t-ブチルパーオキシ)ヘキサン
英語名
2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane
分子式
C16H34O4
分子量
290.44

名称と別名

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
名称をさらに表示
2，5－ジメチル－2，5－ビス（t－ブチルパ-オキシ）ヘキサン2,5-ジメチルー2,5-ビス(t-ブチルパーオキシ)ヘキサン２，５ジメチル２，５ジ（ｔブチルペルオキシ）ヘキサン2，5-ジメチル-2，5-ジ（tert-ブチルペルオキシ）ヘキサン2,5-ジメチル-2,5-ビス(T-ブチルパーオキシ)ヘキサンLUPEROX® 101, 2,5-BIS(TERT-ブチルペルオキシ)-2,5-ジメチルヘキサンLUPEROX® 101XL, 2,5-BIS(TERT-ブチルペルオキシ)-2,5-ジメチルヘキサン、 炭酸カリシウムおよびケイ素混合物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)

物性

構造計算による物性補完中

XLogP
3.9
極性表面積
36.9 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
9
重原子数
20
形式電荷
0
複雑度
252

実験および物理化学的性質

Chemical Classes · 2 件

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 件

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

Physical Description · 4 件

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.

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

CBI; Large Crystals; Other Solid; Liquid; Other Solid; Liquid

Clear yellow liquid; [CAMEO] Liquid; [Sigma-Aldrich MSDS]

物理化学的性質

安全と法規制

安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 6 件

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]

危険有害性情報

Regulatory Information · 5 件

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 件

Organic Peroxide

Organic Peroxide

Fire Hazards · 2 件

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

化学と産業

用途と製造

Uses · 2 件

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 件

Plastics Product Manufacturing

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

応用分野

用途有機過酸化物(重合触媒)原料、架橋剤(合成ゴム、ポリエチレン)、PPの解重号剤(MFI改良剤)

一般的な説明2,5-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.

上流・下流製品情報

上流原料

オキシドールニッケル2-メチルペンタン-2,4-ジオールDimethylhexynediol2,5-ジメチル-2,5-ビス(ヒドロペルオキシ)ヘキサン

関連反応

9 件
反応記録を作成
HRID 439895 の反応式
HRID 439895反応物としてuspto-grants-1996_05
HRID 590637 の反応式
HRID 590637反応物としてuspto-grants-2016_01
HRID 1091207 の反応式
HRID 1091207生成物としてuspto-grants-2012_03
HRID 1654593 の反応式
HRID 1654593反応物としてuspto-grants-1995_04
HRID 1676844 の反応式
HRID 1676844反応物としてuspto-grants-2011_08
HRID 1751813 の反応式
HRID 1751813反応物としてuspto-grants-2015_10
HRID 1820571 の反応式
HRID 1820571反応物としてuspto-grants-2009_10
HRID 2095967 の反応式
HRID 2095967反応物としてuspto-grants-2013_05
1 / 2 ページ

化合物ノート

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データベース識別子

CAS
78-63-7
PubChem CID
6545
DTXSID
DTXSID9025110
ChEMBL
CHEMBL1874231
UNII
923755EYY5
EC Number
201-128-1
Nikkaji
J2.829K
融点
6 °C · 6 °C
沸点
55 · 55-57 °C7 mm Hg(lit.)
比重(密度)
0.877 g/mL · 0.877 g/mL at 25 °C(lit.)
蒸気圧
0.002 Pa · 0.002Pa at 20℃
屈折率
20 · n20/D 1.423(lit.)
闪点
149 °F · 149 °F
貯蔵温度
2 · 2-8°C
溶解性
Chloroform (Soluble), Methanol (Sparingly)
外見
Oil
色
Colourless
水溶解度
混和しない
Henry's Law Constant
3.9 · 3.9×10-3 mol/(m3Pa) at 25℃, Zhang et al. (2010)
安定性
不安定。阻害剤が含まれている可能性があります。強力な酸化剤、酸、還元剤、有機材料、粉末金属とは相容れない。
InChI
1S/C16H34O4/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6/h11-12H2,1-10H3
InChIKey
DMWVYCCGCQPJEA-UHFFFAOYSA-N
SMILES
CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C
LogP
7.34 at · 7.34 at 20℃
CAS データベース
78 · 78-63-7(CAS DataBase Reference)
EPAの化学物質情報
2 · 2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane (78-63-7)

化学的性質

化学的特性colourless to light yellow liquid

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

Health Hazards · 2 件

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 件

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.

Reactive Group · 2 件

Peroxides, Organic

Peroxides, Organic

Reactivity Alerts · 2 件

Strong Oxidizing Agent

Explosive

Reactivity Profile · 2 件

Peroxides, such as 2,5-DIMETHYL-2,5-DI-(TERT-BUTYLPEROXY)HEXANE, are good oxidizing agents. Organic compounds can ignite on contact with concentrated peroxides. Strongly reduced material such as sulfides, nitrides, and hydrides may react explosively with peroxides. There are few chemical classes that do not at least produce heat when mixed with peroxides. Many produce explosions or generate gases (toxic and nontoxic). Generally, dilute solutions of peroxides (<70%) are safe, but the presence of a catalyst (often a transition metal such as cobalt, iron, manganese, nickel, or vanadium) as an impurity may even then cause rapid decomposition, a buildup of heat, and even an explosion. Solutions of peroxides often become explosive when evaporated to dryness or near-dryness. Danger of explosion when dry. May explode from heat, shock, friction or contamination. May ignite combustibles (wood, paper, oil, clothing, etc.). May be ignited by heat, sparks or flames.

Peroxides, such as 2,5-DIMETHYL-2,5-DI-(TERT-BUTYLPEROXY)HEXANE, are good oxidizing agents. Organic compounds can ignite on contact with concentrated peroxides. Strongly reduced material such as sulfides, nitrides, and hydrides may react explosively with peroxides. There are few chemical classes that do not at least produce heat when mixed with peroxides. Many produce explosions or generate gases (toxic and nontoxic). Generally, dilute solutions of peroxides (<70%) are safe, but the presence of a catalyst (often a transition metal such as cobalt, iron, manganese, nickel, or vanadium) as an impurity may even then cause rapid decomposition, a buildup of heat, and even an explosion. Solutions of peroxides often become explosive when evaporated to dryness or near-dryness. Danger of explosion when dry. This compound may react violently on exposure to heat, shock or reducing agents. (NTP, 1992)

Air and Water Reactions · 2 件

Insoluble in water.

Insoluble in water.

Hazard Classes and Categories · 3 件

Flam. Liq. 3 (11.8%)

Flammable liquids - Category 4

Organic peroxides - Type C

安全と保護具

Fire Fighting · 2 件

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 件

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 件

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 件

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 件

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)

毒性情報

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.

安全データ

wgk
1
tsca
TSCA listed
rtecs
MO1835000
ridadr
UN 3108 5.2
hs_code
29012990
risk_code
8-36/37/38-7-36/38-10-41-37/38-68-38-2
hazard_code
O,Xn,Xi,E
safety_code
7-17-36/37/39-3/7-26-14A-47-14-36/37-35
hazard_class
5.2
packing_group
II
Hazard Classifications
Muta. 2Org. Perox. CSkin Irrit. 2
ストレージクラス
4.1A - Other explosive hazardous materials