等级
spectrophotometric grade
蒸汽密度
2.62 (vs air)
蒸汽压
6.17 mmHg ( 20 °C)
方案
≥99.3%
自燃温度
548 °F
expl. lim.
24.5 %
杂质
<0.020% water
蒸发残留物
<0.001%
折射率
n20/D 1.402 (lit.)
沸点
124-125 °C (lit.)
124-125 °C
mp
−85 °C (lit.)
密度
0.965 g/mL at 25 °C (lit.)
λ
H2O reference
紫外吸收
λ: 213 nm Amax: 1.00
λ: 240 nm Amax: 0.20
λ: 260 nm Amax: 0.05
λ: 300-400 nm Amax: 0.01
SMILES字符串
COCCO
InChI
1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3
InChI key
XNWFRZJHXBZDAG-UHFFFAOYSA-N
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警示用语：
Danger
危险分类
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 3 - Repr. 1B - STOT RE 2 - STOT SE 1
靶器官
Immune system, thymus
储存分类代码
3 - Flammable liquids
WGK
WGK 2
闪点(°F)
104.0 °F - closed cup
闪点(°C)
40 °C - closed cup
法规信息
新产品
A high throughput screening system for predicting chemically-induced reproductive organ deformities.
Bart van der Burg et al.
Reproductive toxicology (Elmsford, N.Y.), 55, 95-103 (2014-12-22)
There is a great need for alternative testing methods for reproductive toxicants that are practical, fast, cost-effective and easy to interpret. Previously we followed a pragmatic approach using readily available tests, which was successful in predicting reproductive toxicity of chemicals
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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