2-丁基-1-正辛醇,2-丁基-1-辛醇 | 3913-02-8
中文名称:
2-丁基-1-正辛醇,2-丁基-1-辛醇
英文名称:
2-Butyl-1-octanol
CAS No.:
3913-02-8
分子式:
C1 2 H2 6 O
分子量:
186.33424
名称和标识符
MDL
MFCD00053508
InChIKey
XMVBHZBLHNOQON-UHFFFAOYSA-N
Inchi
InChI=1S/C12H26O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12-13H,3-11H2,1-2H3
SMILES
CCCCCCC(CCCC)CO
别名信息
- 中文别名 -
2-丁基-1-正辛醇
2-丁基-1-辛醇
2-Butyl-1-n-octanol 2-丁基-1-正辛醇
2-丁基辛醇
2-丁基正辛烷醇
丁基辛醇
2-丁基-1-正辛醇,2-丁基-1-辛醇
2-丁基正辛醇
- 英文别名 -
1-Octanol,2-butyl-
2-Butyl-1-n-octanol
2-Butyl-1-octanol
1-Octanol,2-butyl
2-Butyl-n-octyl Alcohol
2-butyloctan-1-ol
2-Butyloctanol
2-Butyloctyl alcohol
Butyloctanol
EINECS 223-470-0
isolauryl alcohol
Jarcol I-12
物化性质
实验特性
LogP
3.75550
PSA
20.23000
折射率
1.4400 to 1.4440
沸点
104°C/3mmHg(lit.)
熔点
-80°C(lit.)
闪点
华氏:>235.4 °F 摄氏:>113 °C
颜色与性状
液体
稳定性
Stable. Incompatible with strong oxidizing agents. Combustible.
溶解性
未确定
密度
0.833 g/mL at 25 °C(lit.)
计算特性
精确分子量
186.19800
氢键供体数量
1
氢键受体数量
1
可旋转化学键数量
9
重原子数量
13
复杂度
91.1
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)
4.8
表面电荷
0
拓扑分子极性表面积
20.2
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参考资料
Reaxys RN
1738522
Beilstein
1(2)463