Neopentyl alcohol

Neopentyl alcohol Structure
Neopentyl alcohol structure
Common Name Neopentyl alcohol
CAS Number 75-84-3 Molecular Weight 88.148
Density 0.8±0.1 g/cm3 Boiling Point 113.1±0.0 °C at 760 mmHg
Molecular Formula C5H12O Melting Point 52-56 °C(lit.)
MSDS Chinese USA Flash Point 36.7±0.0 °C
Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Danger

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...