检测方案
98%
形式
liquid
折射率
n20/D 1.418 (lit.)
bp
123 °C (lit.)
mp
−38 °C (lit.)
密度
0.824 g/mL at 25 °C (lit.)
SMILES字符串
CCC(C)(O)CC
InChI
1S/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3
InChI key
FRDAATYAJDYRNW-UHFFFAOYSA-N
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警示用语：
Warning
危险声明
危险分类
Acute Tox. 4 Oral - Flam. Liq. 3
WGK
WGK 3
闪点(°F)
closed cup
闪点(°C)
closed cup
个人防护装备
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
新产品
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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