1,1-Di (tert-butylperoxy) cyclohexane (1, 1-DTBCH), as an important organic peroxide, is commonly used as initiator, curing agent and crosslinking agent in the chemical industry. Due to the presence of peroxy bonds, the thermal instability of 1, 1-DTBCH may incur a decomposition reaction and cause further thermal runaway. The thermal decomposition characteristics and runaway reaction characteristics of 1, 1-DTBCH were investigated by differential scanning calorimetry (DSC) and accelerated rate calorimetry (ARC). The kinetic triplet and thermal safety parameters were calculated by using non-isothermal method. The gaseous products and pyrolysis products of 1, 1-DTBCH was investigated by thermogravimetric and infrared spectroscopy (TG-FTIR) and gas chromatography/mass spectrometry (GC/MS). The thermal decomposition pathway of 1, 1-DTBCH was explored with density functional theory (DFT). The exothermic dominant reaction in the thermal decomposition process of 1, 1-DTBCH was explored by combining experiment and theoretical calculation. The corresponding safety control measures were provided to reduce the thermal runaway hazard of 1, 1-DTBCH.

1,1-二（叔丁基过氧化）环己烷（1, 1-DTBCH）是一种重要的有机过氧化物，在化学工业中常用作引发剂、固化剂和交联剂。由于过氧键的存在，1, 1-DTBCH的热不稳定性可能会引起分解反应并导致进一步的热失控。采用差示扫描量热法(DSC)和加速量热法(ARC)研究了1, 1-DTBCH的热分解特性和失控反应特性。采用非等温法计算了动力学三重态和热安全参数。通过热重和红外光谱研究了1, 1-DTBCH的气态产物和热解产物(TG-FTIR) 和气相色谱/质谱 (GC/MS)。利用密度泛函理论（DFT）探讨了1, 1-DTBCH的热分解途径。通过实验与理论计算相结合的方式探讨了1, 1-DTBCH热分解过程中放热主导反应。采取了相应的安全控制措施，降低了1, 1-DTBCH的热失控危险。