59091
3-Methylbutanol
puriss. plus, ≥99.5% (GC)
Synonym(s):
3-Methyl-1-butanol, Isoamyl alcohol, Isopentyl alcohol
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About This Item
Linear Formula:
(CH3)2CHCH2CH2OH
CAS Number:
Molecular Weight:
88.15
EC Number:
204-633-5
UNSPSC Code:
12190000
MDL number:
Beilstein/REAXYS Number:
1718835
grade
puriss. plus
assay
≥99.5% (GC)
impurities
isomers, none detected
refractive index
n20/D 1.407
density
0.809 g/mL at 20 °C (lit.)
SMILES string
CC(C)CCO
InChI
1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
InChI key
PHTQWCKDNZKARW-UHFFFAOYSA-N
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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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