2,5-ビス(tert-ブチルペルオキシ)-2,5-ジメチル-3-ヘキシン

2,5-Bis(tert-butylperoxy)-2,5-dimethyl-3-hexyne

HCID 14037CAS 1068-27-5

基本情報

標準SMILES
CC(C)(C)OOC(C)(C)C#CC(C)(C)OOC(C)(C)C
InChIKey
ODBCKCWTWALFKM-UHFFFAOYSA-N
分子式
C16H30O4
平均分子量
286.41 g/mol
単同位体質量
286.21440943

名称と識別子

優先名称
2,5-Bis(tert-butylperoxy)-2,5-dimethyl-3-hexyne
IUPAC
2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-yne
現地名
2,5-ビス(tert-ブチルペルオキシ)-2,5-ジメチル-3-ヘキシン
英語名
2,5-Di(tert-butylperoxy)-2,5-dimethyl-3-hexyne
分子式
C16H30O4
分子量
286.41

名称と別名

1068-27-52,5-Bis(tert-butylperoxy)-2,5-dimethyl-3-hexyne2,5-Dimethyl-2,5-di(t-butylperoxy)hexyne-3BRN 1711920EINECS 213-944-54O3I2IK0J0DTXSID10445122,5-dimethyl-2,5-di(tert-butylperoxy)hexyne-3Peroxide, (1,1,4,4-tetramethyl-2-butyne-1,4-diyl)bis((1,1-dimethylethyl)Di-tert-butyl 1,1,4,4-tetramethylbut-2-yn-1,4-ylene diperoxide4-01-00-02701 (Beilstein Handbook Reference)3-HEXYNE, 2,5-DIMETHYL-2,5-DI(t-BUTYLPEROXY)-
名称をさらに表示
ルペルソール1301,1,4,4-テトラメチル-1,4-ビス[(tert-ブチル)ペルオキシ]-2-ブチンルペロックス130[エチニレンビス(ジメチルメチレン)]ビス(tert-ブチルペルオキシド)2,5-ジメチル-2,5-ビス(tert-ブチルペルオキシ)-3-ヘキシン2,5-ジメチル-2,5-ビス(tert-ブチルパーオキシ)ヘキシン-32,5-ジメチル-3-ヘキシン-2,5-ジイルビス(tert-ブチルペルオキシド)2,5-ジメチル-2,5-ジ(tert-ブチルペルオキシ)-3-ヘキシントリゴノックス1452,5-ビス(tert-ブチルペルオキシ)-2,5-ジメチル-3-ヘキシン2,5ジメチル2,5ビス(tブチルパーオキシ)3ヘキシン2,5-ジメチルー2,5-ビス(t-ブチルパーオキシ)-3-ヘキシン2,5ジメチル2,5ジ(tブチルペルオキシル)ヘキシン32,5-ジ-メチル-2,5-ジ-(t-ブチルペルオキシル)-ヘキシン-32,5-ジ-メチル-2,5-ジ-(ターシャリ-ブチルペルオキシル)-ヘキシン-3VAROX 130Luperox 130Luperox-130VAROX 130-XLTrigonox 145Lupersol 130Perhexyne 25BCab-O-Cure 2PLuperco 130XL2,5-DIME-2,5-DI(T-BUTYLPEROXY)-3-HEXYNE,
2,5-dimethyl-2,5-di(t-butylperoxy)-hexyne2,5-dimethyl-2,5-di-tert-butylperoxyhexyne2,5-dimethyl-2,5-bis(tert-butylperoxy)hexynePeroxide, 1,1'-(1,1,4,4-tetramethyl-2-butyne-1,4-diyl)bis(2-(1,1-dimethylethyl)Peroxide, (1,1,4,4-tetramethyl-2-butyne-1,4-diyl)bis[(1,1-dimethylethyl)Peroxide, 1,1'-(1,1,4,4-tetramethyl-2-butyne-1,4-diyl)bis[2-(1,1-dimethylethyl)RefChem:444135DTXCID9024512

データベース識別子

CAS
1068-27-5
PubChem CID
14037
DTXSID
DTXSID1044512
UNII
4O3I2IK0J0
EC Number
213-944-5
Nikkaji
J2.124E

物性

構造計算による物性

XLogP
3.2
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
8
重原子数
20

実験および物理化学的性質

Physical Description · 2 件

This liquid peroxide is particularly sensitive to temperature rises and contamination. Above a given "Control Temperature" they decompose violently. It is generally stored or transported as a mixture, with an inert solid.

Liquid; Other Solid

物理化学的性質

融点
88 °C · 88 °C (SADT)(lit.)
沸点
348.77 °C · 348.77°C (rough estimate)
比重(密度)
1.26 g/mL · 1.26 g/mL at 25 °C(lit.)
蒸気圧
0.011 Pa · 0.011Pa at 20℃
屈折率
1.434 · 1.4340 (estimate)
闪点
188 °F · 188 °F

化学的性質

化学的特性This peroxide is a yellow liquid used in the cross-linking of various polyolefins. Its half-life in benzene is 10 h at 267°F (130°C) .

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H241 (89.6%): Heating may cause a fire or explosion [Danger Self-reactive substances and mixtures; Organic peroxides];H242 (10.4%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides];H315 (81.2%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (81.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H411 (10.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P234, P235, P240, P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P370+P380+P375[+P378], P391, P403, P410, P411, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 5 件

Chemical: Peroxide, (1,1,4,4-tetramethyl-2-butyne-1,4-diyl)bis[(1,1-dimethylethyl)

Hazard Traits - Bioaccumulation; Environmental Persistence;Authoritative List - Canada PBiTs;Report - if used as a fragrance or flavor ingredient

Peroxide, 1,1'-(1,1,4,4-tetramethyl-2-butyne-1,4-diyl)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-2-butyne-1,4-diyl)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: 02-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21767

Peroxide, (1,1,4,4-tetramethyl-2-butyne-1,4-diyl)bis(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.

Other Safety InformationIMAP assessments - Peroxide, (1,1,4,4-tetramethyl-2-butyne-1,4-diyl)bis[(1,1-dimethylethyl): Human health tier I assessment
DOT LabelOrganic Peroxide Explosive
Fire Hazards · 1 件

Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:;May explode from heat, shock, friction or contamination. May ignite combustibles (wood, paper, oil, clothing, etc.). May be ignited by heat, sparks or flames. May burn rapidly with flare-burning effect. Containers may explode when heated. Runoff may create fire or explosion hazard. (ERG, 2024)

Health Hazards · 1 件

Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:;Fire may produce irritating, corrosive and/or toxic gases. Ingestion or contact (skin, eyes) with substance may cause severe injury or burns. Runoff from fire control or dilution water may cause environmental contamination. (ERG, 2024)

Reactive GroupHydrocarbons, Aliphatic Unsaturated;Peroxides, Organic;Alkynes, with No Acetylenic Hydrogen

安全と保護具

Fire Fighting · 1 件

Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:;SMALL FIRE: Water spray or fog is preferred; if water not available use dry chemical, CO2 or regular foam.;LARGE FIRE: Flood fire area with water from a distance. Use water spray or fog; avoid aiming straight or solid streams directly onto the product. Do not move cargo or vehicle if cargo has been exposed to heat. If it can be done safely, move undamaged containers away from the area around the fire.;FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. ALWAYS stay away from tanks in direct contact with flames. For massive fire, use unmanned master stream devices or monitor nozzles; if this is impossible, withdraw from area and let fire burn. (ERG, 2024)

First AidExcerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:;Refer to the "General First Aid" section. Specific First Aid: Contaminated clothing may be a fire risk when dry. (ERG, 2024)
Nonfire Spill Response · 1 件

Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:;ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. Keep combustibles (wood, paper, oil, etc.) away from spilled material. Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Keep substance wet using water spray. Stop leak if you can do it without risk.;SMALL SPILL: Pick up with inert, damp, non-combustible material using clean, non-sparking tools and place into loosely covered plastic containers for later disposal.;LARGE SPILL: Wet down with water and dike for later disposal. Prevent entry into waterways, sewers, basements or confined areas. DO NOT CLEAN-UP OR DISPOSE OF, EXCEPT UNDER SUPERVISION OF A SPECIALIST. (ERG, 2024)

Isolation and Evacuation · 1 件

Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.;LARGE SPILL: Consider initial evacuation for at least 250 meters (800 feet) in all directions.;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

Personal Protective Equipment (PPE) · 1 件

Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:;Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer when there is NO RISK OF FIRE. Structural firefighters' protective clothing provides thermal protection but only limited chemical protection. (ERG, 2024)

法規制情報

Regulatory Information · 5 件

Chemical: Peroxide, (1,1,4,4-tetramethyl-2-butyne-1,4-diyl)bis[(1,1-dimethylethyl)

Hazard Traits - Bioaccumulation; Environmental Persistence;Authoritative List - Canada PBiTs;Report - if used as a fragrance or flavor ingredient

Peroxide, 1,1'-(1,1,4,4-tetramethyl-2-butyne-1,4-diyl)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-2-butyne-1,4-diyl)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: 02-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21767

Peroxide, (1,1,4,4-tetramethyl-2-butyne-1,4-diyl)bis(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.

安全データ

wgk
3
tsca
TSCA listed
rtecs
MQ9750000
ridadr
UN 3106 5.2
hs_code
29096000
risk_code
8-38-36/37/38-7-41-37/38-20-11-36/38-2

化学と産業

用途と製造

U.S. Production2023: 50,000 - <250,000 lb;2022: 250,000 - <400,000 lb;2021: 400,000 - <550,000 lb;2020: 250,000 - <400,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesIntermediate;Catalyst
General Manufacturing Information · 2 件

All Other Chemical Product and Preparation Manufacturing;Plastics Product Manufacturing;All Other Basic Organic Chemical Manufacturing

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

応用分野 · 3 件

用途ポリマーの架橋剤、不飽和ポリエステル硬化剤、ラジカル重合開始剤

使用Free radical polymerization initiator.

一般的な説明2,5-Di(tert-butylperoxy)-2,5-dimethyl-3-hexyne is particularly sensitive to temperature rises and contamination. Above a given "Control Temperature" they decompose violently. 2,5-Di(tert-butylperoxy)-2,5-dimethyl-3-hexyne is generally stored or transported as a mixture, with an inert solid.

サプライヤー47 社

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
湖南嘉航医药科技有限公司85521272 15200744171 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

関連反応

4 件

関連ノート

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