基本情報
- CAS
2167-23-9- 標準SMILES
CCC(C)(OOC(C)(C)C)OOC(C)(C)C- InChIKey
HQOVXPHOJANJBR-UHFFFAOYSA-N- 分子式
- C12H26O4
- 平均分子量
- 234.33 g/mol
- 単同位体質量
- 234.18310931
名称と識別子
- 優先名称
- 2,2-Bis(tert-butylperoxy)butane
- IUPAC
- 2,2-bis(tert-butylperoxy)butane
- 現地名
- 2,2-ビス(tert-ブチルジオキシ)ブタン
- 英語名
- 2,2-Di(tert-butylperoxy)butane
- 分子式
- C12H26O4
- 分子量
- 234.33
名称と別名
名称をさらに表示
データベース識別子
- CAS
2167-23-9- PubChem CID
- 221260
- DTXSID
DTXSID4044874- ChEMBL
CHEMBL1884601- UNII
- V15K90HFTJ
- EC Number
- 218-507-2
- Nikkaji
- J1.248C
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
- 7
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 182
物理化学的性質
- 融点
- 80 °C · ≥80 °C (SADT)
- 沸点
- 296.66 °C · 296.66°C (rough estimate)
- 比重(密度)
- 0.88 g/mL · 0.88 g/mL at 25 °C
- 蒸気圧
- 50 Pa · 50Pa at 25℃
- 屈折率
- 20 · n20/D 1.445
- 闪点
- 118 °F · 118 °F
- 貯蔵温度
- Refrigerator (+4°C) + Flammables area
- 外見
- 解決
- 色
- クリア
- 水溶解度
- 混和しない
- Henry's Law Constant
- 1.2 · 1.2×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- 安定性
- 不安定。固形物は、加熱したり、ぶつけたり、他の化学物質と混ぜたりすると爆発する可能性があります。粉砕しないでください! 酸、塩基、強力な酸化剤、粉末金属、強力な還元剤とは相容れません。
- LogP
- 5.4 at · 5.4 at 30℃
- NISTの化学物質情報
- 2 · 2,2-Bis(tert-butylperoxy) butane(2167-23-9)
- EPAの化学物質情報
- 1 · Peroxide, 1,1'-(1-methylpropylidene)bis[2-(1,1-dimethylethyl) (2167-23-9)
化学的性質
化学的特性(usually handled as a solution in mineral oil)
安全と法規制
GHS分類
GHS Classification
Danger
H224 (24.2%): Extremely flammable liquid and vapor [Danger Flammable liquids];H240 (18.1%): Heating may cause an explosion [Danger Self-reactive substances and mixtures; Organic peroxides];H242 (81.9%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides];H315 (42.3%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (18.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (24.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (18.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H413 (57.7%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P210, P233, P234, P235, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P372+P380+P373, P370+P378, P403, P403+P233, P403+P235, P405, P410, P411, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 215 reports by companies from 5 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
Chemical: Peroxide, (1-methylpropylidene)bis[(1,1-dimethylethyl)
Status: Active Update: 12-06-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/22574
Fire Hazards
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
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)
Reactivity Profile
Peroxides, such as 2,2-DI-(TERT-BUTYLPEROXY)BUTANE, 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.
安全と保護具
Fire Fighting
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)
Nonfire Spill Response
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
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)
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
Chemical: Peroxide, (1-methylpropylidene)bis[(1,1-dimethylethyl)
Status: Active Update: 12-06-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/22574
安全データ
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3103 5.2
- hs_code
- 29096000
- risk_code
- 8-41-7-36/38-10-37/38-65
- hazard_code
- O,Xi
- safety_code
- 16-17-26-36/37/39-3/7-14A-14-45
- hazard_class
- 5.2
- packing_group
- II
化学と産業
用途と製造
上流・下流製品情報
下流製品
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