10967/129 - QDB Compounds

QsarDB Repository

Veith, G.D.; Petkova, E.P.; Wallace, K.B. A baseline inhalation toxicity model for narcosis in mammals. SAR QSAR Environ. Res. 2009, 20, 5-6, 567–578.

Compound

ID:31
Name:n-Butyl acetate
Description:
Labels:
CAS:123-86-4
InChi Code:InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3

Properties

logLC50exp: Acute inhalation toxicity in rats as log(LC50) [log(mmol/m3)]

ValueSource or prediction
2.54

Carpenter, C. P.; Geary Jr., D. L.; Myers, R. C.; Nachreiner, D. J.; J, S. L.; King, J. M. Petroleum hydrocarbon toxicity studies XVII. Animal response to n-nonane vapour. Toxicology and Applied Pharmacology 1978, 44, 53-61. https://doi.org/10.1016/0041-008X(78)90283-1

2.28

Eq1: Non-polar narcosis for baseline toxicity in rat acute inhalation (Training set)

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