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EC number: 201-193-6
CAS number: 79-29-8
aquatic toxicity was estimated using the Petrotox computer model, which
combines a partitioning model used to calculate the aqueous
concentration of hydrocarbon components as a function of substance
loading with the Target Lipid Model used to calculate acute and chronic
toxicity of non-polar narcotic chemicals. Petrotox computes toxicity
based on the summation of the aqueous-phase concentrations of
hydrocarbon block(s) that represent a hydrocarbon substance and
membrane-water partition coefficients (KMW) that describe the
partitioning of the hydrocarbons between the water and organism.
The estimated algal, 48-hr LL50 value for
this substance is 1.56 mg/L based on growth inhibition.
A QSAR prediction using Petrotox v3.06 predicted an acute LL50 for algae
of 1.56 mg/l, which is considered the key value for algae toxicity.
This is supported by two experimental studies on the read-across
substance n-hexane which reported an ErL50 of 55 mg/L, EbL50 of 26 mg/L
and a NOEL of 30 mg/L based on growth rate in one study and an EC50of
2.66% v/v of test substance.
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