title: A re-evaluation of PETROTOX for predicting acute and chronic toxicity of petroleum substances.
abstract: The PETROTOX model was developed to perform aquatic hazard assessment of petroleum substances based on substance composition. The model relies on the hydrocarbon block method, which is widely used for conducting petroleum substance risk assessments providing further justification for evaluating model performance. Previous work described this model and provided a preliminary calibration and validation using acute toxicity data for limited petroleum substance. The objective of the present study was to re-evaluate PETROTOX using expanded data covering both acute and chronic toxicity endpoints on invertebrates, algae, and fish for a wider range of petroleum substances. The results indicated that recalibration of 2 model parameters was required, namely, the algal critical target lipid body burden and the log octanol-water partition coefficient (KOW) limit, used to account for reduced bioavailability of hydrophobic constituents. Acute predictions from the updated model were compared with observed toxicity data and found to generally be within a factor of 3 for algae and invertebrates but overestimated fish toxicity. Chronic predictions were generally within a factor of 5 of empirical data. Furthermore, PETROTOX predicted acute and chronic hazard classifications that were consistent or conservative in 93 and 84% of comparisons, respectively. The PETROTOX model is considered suitable for the purpose of characterizing petroleum substance hazard in substance classification and risk assessments. Environ Toxicol Chem 2017;36:2245-2252. © 2017 SETAC.
authors.affiliation: ExxonMobil Biomedical Sciences, Annandale, New Jersey, USA.
authors.forename: Aaron D
authors.initials: AD
authors.lastname: Redman
authors.affiliation: ExxonMobil Biomedical Sciences, Spring, Texas, USA.
authors.forename: Thomas F
authors.initials: TF
authors.lastname: Parkerton
authors.affiliation: ExxonMobil Petroleum and Chemical, Machelen, Belgium.
authors.forename: Miriam
authors.initials: M
authors.lastname: Leon Paumen
authors.affiliation: ExxonMobil Biomedical Sciences, Annandale, New Jersey, USA.
authors.forename: Josh D
authors.initials: JD
authors.lastname: Butler
authors.affiliation: ExxonMobil Biomedical Sciences, Annandale, New Jersey, USA.
authors.forename: Daniel J
authors.initials: DJ
authors.lastname: Letinski
authors.affiliation: Concawe, Brussels, Belgium.
authors.forename: Klass
authors.initials: K
authors.lastname: den Haan
mesh_terms: D000818:Animals; D000460:Chlorophyta; D003530:Cyprinidae; D004305:Dose-Response Relationship, Drug; D015386:Hazardous Substances / Q000032:analysis / Q000633:toxicity; D007448:Invertebrates; D007928:Lethal Dose 50; D008962:Models, Theoretical; D019055:No-Observed-Adverse-Effect Level; D017686:Oncorhynchus mykiss; D010578:Petroleum / Q000032:analysis / Q000633:toxicity; D011237:Predictive Value of Tests; D023382:Toxicity Tests, Acute; D036401:Toxicity Tests, Chronic; D014874:Water Pollutants, Chemical / Q000032:analysis / Q000633:toxicity
chemical_list: D015386:Hazardous Substances; D010578:Petroleum; D014874:Water Pollutants, Chemical
keywords: Hazard/risk assessment; Mixtures; Polycyclic aromatic hydrocarbons