211241-68-8 (4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol,4,7-Megastigmadien-9-ol; (6R,7E,9R)-form)

快速询单

结构式：

4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-olMOL文件

CAS号：

211241-68-8

中文名称：

4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol

英文名称：

4,7-Megastigmadien-9-ol; (6R,7E,9R)-form

分子式：

C₁₃H₂₂O

分子量：

194.313184261322

4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol(211241-68-8)名称与标识符

名称

中文别名：

4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol;4-(2,6,6-三甲基环己-2-烯-1-基)丁-3-烯-2-醇;

标识符

InChIKey：

PWDOJWCZWKWKSE-UHFFFAOYSA-N

Inchi：

1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,11-12,14H,5,9H2,1-4H3

SMILES：

CC(C=CC1C(C)(C)CCC=C1C)O

4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol(211241-68-8)物化性质

实验特性

LogP : 3.30590
PSA : 20.23000
折射率 : n20/D 1.491
沸点 : 127 °C15 mm Hg(lit.)
闪点 : 93.4 °C
密度 : 0.918 g/mL at 20 °C(lit.)

计算特性

精确分子量 : 194.167
氢键供体数量 : 1
氢键受体数量 : 1
可旋转化学键数量 : 2
同位素质量 : 194.167
重原子数量 : 14
复杂度 : 248
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 : 2
确定化学键立构中心数量 : 1
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
拓扑分子极性表面积 : 20.2A^2

4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol(211241-68-8)生产方法和用途

用途：

GB 2760--1996规定为允许使用的食品用香料。

4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol(211241-68-8)相关文献

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