Recherche de relations entre toxicite de molecules d'interet industriel et proprietes physico-chimiques: Test d'irritation des voies aeriennes superieures applique a quatre familles chimiques

Trigeminal Chemosensation

“…Among them we can mention normal boiling point (Doty et al, 1984;Muller and Greff, 1984), adjusted boiling point (Roberts, 1986), saturated vapor pressure (Nielsen, Thomsen, and Alarie, 1990), the Ostwald solubility coefficient of the irritant (that is, log L where L = concentration in solvent/concentration in gas phase) (Nielsen, Hansen, and Alarie, 1992), and partition coefficients (specifically, water-air and octanol-water) (Doty et al, 1984;Hau, Connell, and Richardson, 1999). Interestingly, all these descriptors are physicochemical parameters and do not involve the precise chemical structures of the compounds.…”

Pentyl acetate (all isomers) [MAK Value Documentation, 1998]

“…The RD 50 (50 % reduction in respiration rate) of pentyl acetate for the mouse is given as 1531 ml/m 3 (Alarie 1981, Muller andGreff 1984). The graph of the results of this study suggest that the concentration-effect curve is steep: the x-intercept obtained by extrapolation is about 400 ml/m 3 .…”

Trigeminal Chemesthesis

“…A number of studies have attempted to correlate trigeminal chemesthetic potency with a variety of structural and physicochemical properties, including: molecular weight, water solubility, molecular geometry, saturated vapor pressure, boiling point, adjusted boiling point, Ostwald solubility coefficient, other partition coefficients, and combinations of these and other parameters, experimental and/or calculated, (Doty, 1975;Doty et al, 1978;Hau et al, 1999;Muller and Greff, 1984;Nielsen et al, 1992;Nielsen et al, 1990;Roberts, 1986) In the context of chemesthesis, SP (the dependent variable) is a sensory property reflecting chemesthetic potency of a series of irritants (i.e., solutes) towards humans, when the irritants reach, penetrate, diffuse, and trigger stimulation of the target mucosa (nasal or ocular). For example, SP is the logarithm of the reciprocal of nasal pungency thresholds, log (1/NPTs), or of eye irritation thresholds, log (1/EITs).…”