CASOIL

Short-term toxicity to aquatic invertebrates

Administrative data

Endpoint:

short-term toxicity to aquatic invertebrates

Type of information:

(Q)SAR

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Remarks:

The endpoint was calculated using PETROTOX model that is made available by CONCAWE and uses hydrocarbon block model to predict eco-toxicological endpoints.

Justification for type of information:

The toxicity to aquatic invertebrates is determined using valid QSAR model via PETROTOX software based on substance detailed analytical determination. The model uses rich library of CONCAWE physical and chemical properties as well as solubility, octanol-water coefficients and toxicology data of hydrocarbon blocks based on rich collection of study reports.

Data source

Reference

Reference Type:

other company data

Title:

Unnamed

Year:

2019

Report date:

2019

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other: Estimation via PETROTOX QSAR model based on actual analytical information (hydrocarbon blocks) of the intermediate substance

Deviations:

not applicable

Principles of method if other than guideline:

The endpoint was calculated using the PETROTOX model that is made available by CONCAWE and uses hydrocarbon block model to predict eco-toxicological endpoints. Hydrocarbon blocks for the model is based on detailed substance composition and analytical information. The model assumes that complex hydrocarbon mixture exert a narcotic mode of toxic action which is assumed to be additive. The model uses target lipid model and toxic unit theory employing a rich database of physica/chemical properties of hydrocarbons and toxicity studies to calculate the toxicity and environmental risk limits. The model also uses three phase (air-water-free product) oil solubility to calculate the distribution among the exposure water, headspace and free product phases.

GLP compliance:

not specified

Remarks:

QSAR computational model utilized

Test material

Test material information

Constituent 1

Reference substance name:

Hydrocarbons from mixed waste plastics, thermo-mechanical depolymerization condensate

Molecular formula:

C5-C29

IUPAC Name:

Hydrocarbons from mixed waste plastics, thermo-mechanical depolymerization condensate

Test material form:

liquid

Details on test material:

Hydrocarbons from mixed waste plastics, thermo-mechanical depolymerization condensate. It is a complex combination of hydrocarbons as described in section one.

Sampling and analysis

Analytical monitoring:

not required

Test organisms

Test organisms (species):

Daphnia magna

Results and discussion

Effect concentrations

Key result

Duration:

48 h

Dose descriptor:

LL50

Effect conc.:

ca. 13.88 mg/L

Nominal / measured:

estimated

Conc. based on:

test mat.

Basis for effect:

not specified

Details on results:

The output of the PETROTOX model gives LL50/NOEL and Toxicity Unit (TU) at different loadings considering 10% headspace. The intercept of the test spiece (Daphnia magna) is considered as 115,0 micromol / g octanol and zero for bioavalability mode ( particulate organic carbon loading left at 0 mg/l ).

Applicant's summary and conclusion

Validity criteria fulfilled:

not applicable

Conclusions:

The LL50/NOEL for short term aquatic toxicity of the UVCB intermediate substance that is a combination of hydrocarbons to Daphnia magna was estimated to be 13.88 mg/l using PETROTOX model based on actual analytical information of the substance.

Executive summary:

The acute toxicity to aquatic invertebrates from the UVCB substance was calculated using the PETROTOX model that is made available by CONCAWE and uses hydrocarbon block model to predict eco-toxicological endpoints. Hydrocarbon blocks for the model is based on detailed substance composition and analytical information. This model assumes that complex hydrocarbon mixture exert a narcotic mode of toxic action which is assumed to be additive. The model uses target lipid model (TLM) and toxic unit theory employing a rich database of physica/chemical properties of hydrocarbons and toxicity studies to calculate the toxicity and environmental risk limits. The model also uses three phase (air-water-free product) oil solubility to calculate the distribution among the exposure water, headspace and free product phases at different product loadings. The headspace is set as 10% to account for volatilization of some components. Additionally, the particulate organic carbon (POC) loading was left zero for daphnia models. It is assumed that the presence of POC would result in the absorption of some of the test substance and hence lower bioavailability. The output of the PETROTOX model gives 13.88 mg/l as LL50/NOEL.