76950
3-戊醇
purum, ≥98.0% (GC)
别名:
sec-inact.-Pentyl alcohol, 二乙基甲醇
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关于此项目
线性分子式:
(C2H5)2CHOH
化学文摘社编号:
分子量:
88.15
EC Number:
209-526-7
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
1730964
MDL number:
InChI key
AQIXEPGDORPWBJ-UHFFFAOYSA-N
InChI
1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3
SMILES string
CCC(O)CC
grade
purum
assay
≥98.0% (GC)
autoignition temp.
815 °F
bp
114-115 °C/749 mmHg (lit.)
density
0.815 g/mL at 25 °C (lit.)
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signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
3 - Flammable liquids
wgk
WGK 1
flash_point_f
93.2 °F - closed cup
flash_point_c
34 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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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