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Administrative data

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Description of key information

The ready biodegradation of 1-(4-(2-(benzyloxy)ethoxy)phenyl)-1,2-diphenylbutane-1,4-diol was predicted employing two in silico approaches: QSAR model as provided by BIOWIN and a decision rule system as provided by Toxtree. The two predictors were employed in order to apply a consensus analysis to enhance the reliability of the prediction. The two predictors were in agreement, leading to the conclusion that 1-(4-(2-(benzyloxy)ethoxy)phenyl)-1,2-diphenylbutane-1,4-diol is NOT READILY BIODEGRADABLE.

Key value for chemical safety assessment

Biodegradation in water:
inherently biodegradable

Additional information

BIOWIN BIOWIN criteria for the YES or NO prediction are as follows: if the Biowin3 (ultimate survey model) result is "weeks" or faster (i.e. days, days to weeks, or weeks) AND the Biowin5 (MITI linear model) probability is ≥ 0.5, then the prediction is YES (readily biodegradable). If this condition is not satisfied, the prediction is NO (not readily biodegradable). This method is based on the application of Bayesian analysis to ready biodegradation data for US Premanufacture Notification (PMN) chemicals, derived collectively from all six OECD301 test methods plus OECD310. The linear and nonlinear MITI models (Biowin5 and 6) also predict ready biodegradability, but for degradation in the OECD301C test only, and based exclusively on data from the Chemicals Evaluation and Research Institute Japan (CERIJ) database. Based on BIOWIN predictions, 1-(4-(2-(benzyloxy)ethoxy)phenyl)-1,2-diphenylbutane-1,4-diol was predicted as not readily biodegradable.

Toxtree Toxtree estimates the biodegradability potential of a chemical compound based on structural alerts compiled from the Canadian EPA (START (Structural Alerts for Reactivity in Toxtree) biodegradation & persistence decision tree http://ihcp.jrc.ec.europa.eu/our_labs/computational_toxicology/doc/Toxtree_start_manual.pdf) Toxtree predicted 1-(4-(2-(benzyloxy)ethoxy)phenyl)-1,2-diphenylbutane-1,4-diol as not readily biodegradable, since chemicals with two or more rings are associated with low biodegradability.