基本信息
结构式：
CAS号：
3006-82-4
分子式：
C12H24O3
分子量：
216.317164421082
简介：
引发剂OT，中文别名为引发剂O;过氧化-2-乙基己酸叔丁酯;TBPEH。用作乙烯、甲基丙烯酸酯及丙烯类单体聚合的引发剂。CAS号:3006-82-4。
相关分类：
管制类
名称与标识
名称
中文别名：
引发剂OT;引发剂O;过氧化-2-乙基己酸叔丁酯;过氧化2-乙基己酸叔丁酯;1,1-二甲基乙基-2-乙基过氧己酸酯;过氧化异辛酸叔丁酯;過[氧]-2-乙己酸三級丁酯;叔丁基过氧化(2-乙基)己酰;过氧化(2-乙基己酸)叔丁酯;引发剂 OT;引发剂 O;
英文别名：
Tert-Butylperoxy-2-Ethylhecanoate;tert-Butyl peroxy-2-ethylhexanoate;2-ethyl-hexaneperoxoic acid tert-butyl ester;butyl peroxy-2-ethylhexanoate;Initiating agent OT;Lipid peroxide tert-butyl;T-BUTYLPEROXY-2-ETHYLHEXANOATE;t-butylperoxyoctoate;tert.-Butyl-2-ethylperoxyhexanoat;tert-butyl 2-ethylhexaneperoxoate;tert-butyl 2-ethylperoxyhexanoate;tert-Butyl peroctoate;tert-Butyl peroxy-2;tert-Butyl peroxyoctoate;tert-butylperoxy 2-ethylhexanoate;tertiary butyl per-2-ethylhexanoate;Trigonox 21;2-Ethyl-hexaneperoxoic acid 1,1-dimethylethyl ester;TERTIARY BUTYL PEROXY 2-ETHYL CAPROIC ACID ESTER;Hexaneperoxoic acid, 2-ethyl-, 1,1-dimethylethyl ester;
标识符
InChIKey：
WYKYCHHWIJXDAO-UHFFFAOYSA-N
Inchi：
1S/C12H24O3/c1-6-8-9-10(7-2)11(13)14-15-12(3,4)5/h10H,6-9H2,1-5H3
SMILES：
C(OOC(C)(C)C)(=O)C(CC)CCCC
物化性质
实验特性
- LogP : 3.47610
- PSA : 35.53000
- 折射率 : 1.429
- 沸点 : 248.9±23.0 °C at 760 mmHg
- 熔点 : -30 ºC
- 蒸气压 : No data available
- 闪点 : 85 ºC
- 颜色与性状 : No data avaiable
- 密度 : 0.89
计算特性
- 精确分子量 : 216.17300
- 氢键供体数量 : 0
- 氢键受体数量 : 3
- 可旋转化学键数量 : 8
- 同位素质量 : 216.173
- 重原子数量 : 15
- 复杂度 : 182
- 同位素原子数量 : 0
- 确定原子立构中心数量 : 0
- 不确定原子立构中心数量 : 1
- 确定化学键立构中心数量 : 0
- 不确定化学键立构中心数量 : 0
- 共价键单元数量 : 1
- 疏水参数计算参考值（XlogP） : 4
- 互变异构体数量 : 无
- 表面电荷 : 0
- 拓扑分子极性表面积 : 35.5A^2
安全信息
- 安全术语： 5.2
- 安全说明： H227 H242 H400
- 危险等级： 5.2
- 危险品运输编号： UN 2143
- 危害声明：H227 H242 H400
- 警示性声明：P264+P280+P305+P351+P338+P337+P313
- 储存条件： 4°C条件下存储,-4摄氏度存储更佳
- 信号词： Warning
国际标准相关数据
EINECS：
221-110-7
生产方法和用途
用途：
用作乙烯、甲基丙烯酸酯及丙烯类单体聚合的引发剂
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