ビス(2-エチルペルオキシヘキサン酸)2,5-ジメチル-2,5-ヘキサンジイル

2,5-Dimethyl-2,5-bis(2-ethylhexanoylperoxy)hexane

HCID 114448

基本情報

CAS
13052-09-0
標準SMILES
CCCCC(CC)C(=O)OOC(C)(C)CCC(C)(C)OOC(=O)C(CC)CCCC
InChIKey
JUIBLDFFVYKUAC-UHFFFAOYSA-N
分子式
C24H46O6
平均分子量
430.6 g/mol
単同位体質量
430.32943918

名称と識別子

優先名称
2,5-Dimethyl-2,5-bis(2-ethylhexanoylperoxy)hexane
IUPAC
[5-(2-ethylhexanoylperoxy)-2,5-dimethylhexan-2-yl] 2-ethylhexaneperoxoate
現地名
ビス(2-エチルペルオキシヘキサン酸)2,5-ジメチル-2,5-ヘキサンジイル
英語名
2,5-Dimethyl-2,5-di(2-ethylhexanoylperoxy)hexane
分子式
C24H46O6
分子量
430.62

名称と別名

13052-09-02,5-dimethyl-2,5-bis(2-ethylhexanoylperoxy)hexaneEINECS 235-935-51,1,4,4-Tetramethylbutane-1,4-diyl bis(2-ethylperoxyhexanoate)LUPEROX 256PERHEXA 250Hexaneperoxoic acid, 2-ethyl-, OO1,OO1'-(1,1,4,4-tetramethyl-1,4-butanediyl) ester10N88F7673DTXSID90864350EC 235-935-5UNII-10N88F7673Hexaneperoxoic acid, 2-ethyl-, 1,1,4,4-tetramethyl-1,4-butanediyl ester
名称をさらに表示
2,5-ジメチル-2,5-ビス(2-エチルヘキサノイルペルオキシ)ヘキサンビス(2-エチルヘキサンペルオキシ酸)1,1,4,4-テトラメチル-1,4-ブタンジイル1,1'-(1,1,4,4-テトラメチルブタン-1,4-ジイルビスペルオキシ)ビス(2-エチルヘキサン-1-オン)2,5-ジメチル-2,5-ビス(2-エチルヘキサノイルジオキシ)ヘキサンビス(2-エチルペルオキシヘキサン酸)2,5-ジメチル-2,5-ヘキサンジイルビス(2-エチルヘキサンペルオキシ酸)(1,1,4,4-テトラメチルブタン-1,4-ジイル)ビス(2-エチルヘキサンペルオキシ酸)2,5-ジメチル-2,5-ヘキサンジイルビス(2-エチルペルオキシヘキサン酸)1,1,4,4-テトラメチルテトラメチレンエステル2,5-ジメチル-2,5-ヘキサンジイル=ビス(2-エチルペルオキシヘキサノアート)1,1′-(1,1,4,4-テトラメチルブタン-1,4-ジイルビスペルオキシ)ビス(2-エチルヘキサン-1-オン)5-[(2-エチルヘキサノイル)ペルオキシ]-2,5-ジメチルヘキサン-2-イル 2-エチルヘキサンペルオキソアート2,5-Dimethylhexane-2,5-diperoctoate2,5-Dimethyl-2,5-bis(2-ethylhexanoyldioxy)hexane2,5-Dimethyl-2,5-bis(2-ethylhexanoyl peroxy)hexane2,5-Di-(2-ethylhexanoyl-peroxy)-2,5-dimethylhexan21Bis(2-ethylhexaneperoxoic acid)2,5-dimethyl-2,5-hexanediylBis(2-ethylhexaneperoxoic acid)2,5-dimethyl-2,5-hexanediyl esterBis(2-ethylhexaneperoxoic acid)1,1,4,4-tetramethyl-1,4-butanediyl
2,5-bis(2-ethylhexanoylperoxy)-2,5-dimethylhexane2,5-dimethylhexane-2,5-diylbis(2-(ethylperoxy)hexanoate)2,5-di(2-ethylhexanoylperoxy)-2,5-dimethylhexane2,5-DIMETHYLHEXANE-2,5-DIPEROXY-2-ETHYLHEXANOATE2,5-HEXANEDIOL, 2,5-DIMETHYL-, BIS(2-ETHYLPEROXYHEXANOATE)RefChem:197432DTXCID808128802,5-dimethyl-2,5-di(2-ethylhexanoylperoxy)hexane

データベース識別子

CAS
13052-09-0
PubChem CID
114448
DTXSID
DTXSID90864350
UNII
10N88F7673
EC Number
235-935-5
Nikkaji
J1.314E

物性

構造計算による物性

XLogP
7.7
極性表面積
71.1 Ų
水素結合供与体数
0
水素結合受容体数
6
回転可能結合数
19
重原子数
30

実験および物理化学的性質

Physical DescriptionCBI

物理化学的性質

沸点
471.1 · 471.1±55.0 °C(Predicted)
比重(密度)
0.967 · 0.967±0.06 g/cm3(Predicted)
蒸気圧
0.01 Pa · 0.01Pa at 25℃
水溶解度
27.9 μg/L · 27.9μg/L at 20℃
InChI
InChI=1S/C24H46O6/c1-9-13-15-19(11-3)21(25)27-29-23(5,6)17-18-24(7,8)30-28-22(26)20(12-4)16-14-10-2/h19-20H,9-18H2,1-8H3
InChIKey
JUIBLDFFVYKUAC-UHFFFAOYSA-N

化学的性質

化学的特性Colorless liquid, slight mint odor.

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H242 (100%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]

P210, P234, P235, P240, P280, P370+P378, P403, P410, P411, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 21 reports by companies from 1 notifications to the ECHA C&L Inventory.;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 · 2 件

Hexaneperoxoic acid, 2-ethyl-, OO1,OO1'-(1,1,4,4-tetramethyl-1,4-butanediyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexaneperoxoic acid, 2-ethyl-, OO1,OO1'-(1,1,4,4-tetramethyl-1,4-butanediyl) ester 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: 04-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/11958

DOT LabelOrganic Peroxide
Fire Hazards · 1 件

Excerpt from ERG Guide 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]:;May explode from heat, contamination or loss of temperature control. These materials are particularly sensitive to temperature rises. Above a given "Control Temperature" they may decompose violently and catch fire. May ignite combustibles (wood, paper, oil, clothing, etc.). May ignite spontaneously if exposed to air. 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 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]:;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 GroupPeroxides, Organic
Reactivity AlertsExplosive;Strong Oxidizing Agent

安全と保護具

Fire Fighting · 1 件

Excerpt from ERG Guide 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]:;The temperature of the substance must be maintained at or below the "Control Temperature" at all times.;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. BEWARE OF POSSIBLE CONTAINER EXPLOSION. 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 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]:;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 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]:;DO NOT allow the substance to warm up. Use a coolant agent such as dry ice or ice (wear thermal protective gloves). If this is not possible or none can be obtained, evacuate the area immediately. 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 or walk through spilled material. 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: Dike far ahead of liquid spill 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 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]:;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 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]:;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 · 2 件

Hexaneperoxoic acid, 2-ethyl-, OO1,OO1'-(1,1,4,4-tetramethyl-1,4-butanediyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexaneperoxoic acid, 2-ethyl-, OO1,OO1'-(1,1,4,4-tetramethyl-1,4-butanediyl) ester 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: 04-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/11958

安全データ

tsca
TSCA listed
ridadr
3115
化審法
新規公示化学物質(2011年3月31日以前届出)
hazard_class
5.2
packing_group
II

化学と産業

用途と製造

U.S. Production2023: 75,000 - <500,000 lb;2022: 75,000 - <500,000 lb;2021: <75,000 lb;2020: 75,000 - <500,000 lb
Industry UsesCBI
General Manufacturing Information · 2 件

CBI

Hexaneperoxoic acid, 2-ethyl-, OO1,OO1'-(1,1,4,4-tetramethyl-1,4-butanediyl) ester: ACTIVE

サプライヤー17 社

武汉欣扬瑞和化学科技有限公司18171205315; 18171205315 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南通合润生物科技有限公司18362409333 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]

関連反応

7 件

化合物ノート

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