基本情報
- CAS
15520-11-3- 標準SMILES
CC(C)(C)C1CCC(OC(=O)OOC(=O)OC2CCC(C(C)(C)C)CC2)CC1- InChIKey
NOBYOEQUFMGXBP-UHFFFAOYSA-N- 分子式
- C22H38O6
- 平均分子量
- 398.5 g/mol
- 単同位体質量
- 398.26683893
概要
Di-(4-tert-butylcyclohexyl)peroxydicarbonate, [technically pure] is a crystalline solid. This solid peroxide is particularly heat and contamination sensitive. These materials above a given "control temperature" may decompose violently. They are often stored in a temperature controlled vessel, also mixed with water to form a slurry of the peroxide. This greatly lessens the explosion hazard risk.
名称と識別子
- 優先名称
- Bis(4-tert-butylcyclohexyl) peroxydicarbonate
- IUPAC
- (4-tert-butylcyclohexyl) (4-tert-butylcyclohexyl)oxycarbonyloxy carbonate
- 現地名
- ペルオキシ二炭酸ビス(4-tert-ブチルシクロヘキサン-1-イル)
- 英語名
- Bis(4-tert-butylcyclohexyl) peroxydicarbonate
- 分子式
- C22H38O6
- 分子量
- 398.53
名称と別名
15520-11-3Bis(4-tert-butylcyclohexyl) peroxydicarbonatePerkadox 16Bis(4-tert-butylcyclohexyl)peroxydicarbonatedi-(4-tert-butylcyclohexyl)peroxydicarbonateBBPD076NU497LZPeroxydicarbonic acid, bis(4-(1,1-dimethylethyl)cyclohexyl) esterPeroxydicarbonic acid, C,C'-bis[4-(1,1-dimethylethyl)cyclohexyl] esterDTXSID8065907Peroxydicarbonic Acid, Bis(4-(1,1-Dimethylethyl)Cyclohexyl)Peroxydicarbonic acid, C,C'-bis(4-(1,1-dimethylethyl)cyclohexyl) ester
名称をさらに表示
ビス[[(4-tert-ブチルシクロヘキシル)オキシ]カルボニル]ペルオキシドビス(4-tert-ブチルシクロヘキシル)パージカーボネート[α,β-ペルオキシ]二炭酸ビス(4-tert-ブチルシクロヘキシル)ペルオキシ二炭酸ビス(4-tert-ブチルシクロヘキサン-1-イル)ペルオキシジ炭酸ビス(4-tert-ブチルシクロヘキシル)ペルオキシビス(ぎ酸4-tert-ブチルシクロヘキシル)ビス(4-tert-ブチルシクロヘキシル)ペルジカルボナートペルオキシ二炭酸ビス(4-tert-ブチルシクロヘキシル)ペルオキシ二炭酸ジ(4-tert-ブチルシクロヘキシル)ビス[(4-tert-ブチルシクロヘキシルオキシ)カルボニル]ペルオキシドビス(4-tert-ブチルシクロヘキシルオキシカルボニル)ペルオキシド
物性
構造計算による物性
- XLogP
- 7.5
- 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
- 9
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 466
実験および物理化学的性質
Physical Description
Di-(4-tert-butylcyclohexyl)peroxydicarbonate, [technically pure] is a crystalline solid. This solid peroxide is particularly heat and contamination sensitive. These materials above a given "control temperature" may decompose violently. They are often stored in a temperature controlled vessel, also mixed with water to form a slurry of the peroxide. This greatly lessens the explosion hazard risk.
CBI; Liquid
物理化学的性質
- 融点
- 91 · 91-92°C
- 沸点
- 435.1 · 435.1±28.0 °C(Predicted)
- 比重(密度)
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- 蒸気圧
- 0.01 Pa · 0.01Pa at 20℃
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- クロロホルム（微量）、メタノール（微量）
- 外見
- 個体
- 色
- ホワイトからオフホワイト
- 水溶解度
- 600 ng/L · 600ng/L at 20℃
- 安定性
- 光に敏感
- 化粧品成分の機能
- フィルム形成
- InChI
- InChI=1S/C22H38O6/c1-21(2,3)15-7-11-17(12-8-15)25-19(23)27-28-20(24)26-18-13-9-16(10-14-18)22(4,5)6/h15-18H,7-14H2,1-6H3
- InChIKey
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
This chemical does not meet GHS hazard criteria for 20.3% (37 of 182) of reports.
Danger
H242 (79.7%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]
P210, P234, P235, P240, P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P370+P378, P403, P410, P411, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 182 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Peroxydicarbonic acid, bis[4-(1,1-dimethylethyl)cyclohexyl]ester
Peroxydicarbonic acid, C,C'-bis[4-(1,1-dimethylethyl)cyclohexyl] ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Peroxydicarbonic acid, C,C'-bis[4-(1,1-dimethylethyl)cyclohexyl] 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)
REACH registered substance: Bis(4-tert-butylcyclohexyl) peroxydicarbonate (EC: 239-557-1)
Peroxydicarbonic acid, bis[4-(1,1-dimethylethyl)cyclohexyl] ester, 100%: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelOrganic Peroxide
Fire HazardsExcerpt from ERG Guide 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]:
Health HazardsExcerpt from ERG Guide 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]:
Reactive GroupPeroxides, Organic
Reactivity Alerts
化学と産業
用途と製造
U.S. Production2023: 75,000 - <500,000 lb
Industry UsesCBI
General Manufacturing Information
Plastics Product Manufacturing
Peroxydicarbonic acid, C,C'-bis[4-(1,1-dimethylethyl)cyclohexyl] ester: ACTIVE
応用分野
使用Di-(4-tert-butylcyclohexyl) peroxy dicarbonate is used as polymerization initiator. No information was located for this compound.
一般的な説明Crystalline solid. Bis(4-tert-butylcyclohexyl) peroxydicarbonate is particularly heat and contamination sensitive. These materials above a given "control temperature" may decompose violently. They are often stored in a temperature controlled vessel, also mixed with water to form a slurry of the peroxide. This greatly lessens the explosion hazard risk.
上流・下流製品情報
上流原料
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