41520
2,2-二甲基-1-丙醇
purum, ≥97.0% (GC)
别名:
叔丁基甲醇, 新戊醇
蒸汽压
16 mmHg ( 20 °C)
等级
purum
方案
≥97.0% (GC)
表单
solid
沸点
113-114 °C (lit.)
mp
52-56 °C (lit.)
52-56 °C
密度
0.818 g/mL at 25 °C (lit.)
SMILES字符串
CC(C)(C)CO
InChI
1S/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H3
InChI key
KPSSIOMAKSHJJG-UHFFFAOYSA-N
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警示用语：
Danger
危险声明
危险分类
Acute Tox. 4 Inhalation - Flam. Sol. 1 - STOT SE 3
靶器官
Respiratory system
储存分类代码
4.1B - Flammable solid hazardous materials
WGK
WGK 1
闪点(°F)
82.4 °F - closed cup
闪点(°C)
28 °C - closed cup
个人防护装备
Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
法规信息
新产品
此项目有
Alfonso Pérez-Garrido et al.
Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation
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