676-22-2 （反,反,反-1,5,9-环十二烷基三烯,trans,trans,trans-1,5,9-Cyclododecatrene）
中文名称： 反,反,反-1,5,9-环十二烷基三烯
英文名称： trans,trans,trans-1,5,9-Cyclododecatrene
CAS No.： 676-22-2
分子式： C1 2 H1 8
分子量： 162.27132
名称和标识符 MDL MFCD00003720 InChIKey ZOLLIQAKMYWTBR-FFWAUJBHSA-N Inchi InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2/b2-1+,9-7+,10-8+ SMILES C1CC=CCCC=CCCC=C1 |t:2,6,10| BRN 969880
别名信息
- 中文别名 - 反,反,反-1,5,9-环十二烷基三烯 反,反,反-1,5,9-环十二烷基三烯, stab. with 30-50ppm 4-tert-butylcatechol
- 英文别名 - Cyclododecatriene-1,5,9 trans,trans,trans-1,5,9-Cyclododecatriene 1,5,9-trans,trans,trans-cyclododecatriene all-trans-cyclododeca-1,5,9-triene cis,trans,cis-1,2,3,4-Tetracarboxy-cyclobutan cis-1,2,3,4-cyclopentanetetracarboxylic acid Cyclopentan-1,2,3,4-tetracarbonsaeure trans,trans,trans-1,2,3,4-c trans,trans,trans-1,2,3,4-cyclopentanetetracarboxylic acid trans,trans,trans-Cyclobutanetetracalboxylic acid trans,trans,trans-cyclodeca-1,5,9-triene trans-trans-trans-Cyclobutan-tetracarbonsaeure-(1,2,3,4) ZOLLIQAKMYWTBR-MOLCZBCNSA-N DTXCID5065308 trans,cis,cis-1,5,9-Cyclododecatriene trans-1,5,9-cyclododecatriene W-109148 cis,trans,trans-Cyclododeca-1,5,9-triene 4736-48-5 DTXSID8027581 AI3-26695 NCGC00254420-01 (1Z,5Z,9Z)-1,5,9-Cyclododecatriene UN 2518 1,5,9-Cyclododecatriene (Z,E,E) DTXSID001032268 N0YIL178LP UNII-N0YIL178LP 1,5,9-Cyclododecatriene, (1Z,5Z,9Z)- EC 225-533-8 trans,trans,trans-1,5,9-Cyclododecatriene, 97%, stab. with 30-50ppm 4-tert-butylcatechol UNII-6Q5S1IRJ4Q 6Q5S1IRJ4Q cyclododecatriene-1,5,9 1,5,9-CYCLODODECATRIENE Tox21_300401 UN2518 cis,cis,cis-Cyclododeca-1,5,9-triene trans,trans,cis-1,5,9-Cyclododecatriene (1Z,5Z,9Z)-cyclododeca-1,5,9-triene (Z,E,E)-CDT (Z,Z,Z)-Cyclododeca-1,5,9-triene 1,5,9-Cyclododecatriene, (Z,Z,Z)- CAS-4904-61-4 HSDB 6481 2765-29-9 1,5,9-Cyclododecatriene, cis,cis,cis- 4904-61-4 EINECS 225-533-8 1,5,9-Cyclododecatriene [UN2518] [Poison] AKOS015913186 676-22-2 1,5,9-Cyclododecatriene, (E,E,E)- cyclododeca-1cis,5cis,9cis-triene Q161541 CDT (VAN) NSC 72433 706-31-0 1,5,9-Cyclooctatriene
物化性质
实验特性 LogP 4.00920 PSA 0.00000 折射率 1.5082 (estimate) 沸点 237-238 °C(lit.) 熔点 33-35 °C (lit.) 蒸气压 0.1±0.2 mmHg at 25°C 闪点 华氏：163.4 °F 颜色与性状 白色晶体。 溶解性 不能溶于水。 密度 0.89 g/mL at 20 °C(lit.)
计算特性 精确分子量 162.14100 氢键供体数量 0 氢键受体数量 0 可旋转化学键数量 0 同位素质量 162.141 重原子数量 12 复杂度 121 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 0 确定化学键立构中心数量 3 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） 无 互变异构体数量 无 表面电荷 0 拓扑分子极性表面积 0A^2
生产方法和用途 用途 由环十二碳三烯可制造环十二烷,它是新型工程塑料聚酰胺(尼龙-12;尼龙-612,尼龙-1012)的原料,还用于生产聚酰胺合成纤维;耐寒增塑剂;人造橡胶;调味剂;环氧树脂交联剂;香料;耐火添加剂等。
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化合物详情（旧版） SMILES
C1\C=C/CC\C=C/CC\C=C/C1
GHS05 
