Pentan-3-ol

Pentan-3-ol Structure
Pentan-3-ol structure
Common Name Pentan-3-ol
CAS Number 584-02-1 Molecular Weight 88.148
Density 0.8±0.1 g/cm3 Boiling Point 115.3±0.0 °C at 760 mmHg
Molecular Formula C5H12O Melting Point -75 °C
MSDS Chinese USA Flash Point 40.6±0.0 °C
Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Warning

Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins

Bioorg. Med. Chem. 17 , 896-904, (2009)

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 mole...