Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
acute toxicity: oral
Type of information:
(Q)SAR
Remarks:
Danish QSAR data base is used for LD50 of constituents and total acute toxicity is calculated according to additivity formula from CLP regulation and based on actual analytical information of the constituents in the intermediate substance.
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:
Applied DTU QSAR models are documented in QMRFs and include more than 600,000 substances. Constituents' identification are from actual analytical information performed using standard laboratory procedures.
Justification for type of information:
Acute Toxicity estimate of mixtures is calculated according to the Tiered approach with additivity formula in CLP regulation. Oral lethal dose of constituents are extracted from valid Danish QSAR database that uses LD50 in rats data from ACD labs. Constituents identification are from actual analytical information GC-MS (and headspace) reports as well as adding C>4 hydrocarbons representative identifier from EPI Suite to provide a comprehensive assessment that covers complete range of known and probable hydrocarbons within the intermediate substance. All information are docuemnted and attached in the dossier.

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: Rat Oral LD50 data of constituents/ingredients from ACD labs provided by Danish QSAR database are used for calculation of total toxicity according to formula introduced for mixtures in CLP regulation, both normal and conservative estimation applied.
Version / remarks:
Rat Oral LD50 data of constituents/ingredients from ACD labs provided by Danish QSAR database are used for calculation of total toxicity according to formula introduced for mixtures in CLP regulation, both normal and conservative estimation applied.
Deviations:
not applicable
Remarks:
Rat Oral LD50 data of constituents/ingredients from ACD labs provided by Danish QSAR database used for calculation according to CLP regulation, additivity formula
Principles of method if other than guideline:
Acute Toxicity Estimate (ATE) of substance (mixture of constituents) is calculated according to the Tiered approach with additivity formula in CLP regulation. Oral lethal dose of constituents are extracted from valid Danish QSAR database that uses LD50 in rats data from ACD labs. Constituents data are from actual analytical information GC-MS (and headspace) data as well as C>4 hydrocarbons representative identifier from EPI Suite to broaden the carbon range of hydrocarbons and provide a comprehensive assessment that covers complete range of known and probable hydrocarbons. All information are docuemnted and attached in the dossier. The ATE of the intermediate substance according to additivity formula is: 100/ SUM (Ci / ATEi) where Ci is concentration of each constituent and ATEi is lethal dose ( Oral Rat LD50) of the constituents from Danish QSAR database. In addition, conservative formula is also applied that is 100- (SUM Ci unknowns) / SUM (Ci/ATEi). Conservative formula according to CLP regulation assumes that the rest of constituents in the UVCB substance are also similar to identified constituents that have less than 2000 mg/kg/d LD50.
GLP compliance:
not specified
Remarks:
Calculation based on constituents lethal dose data from Danish QSAR database that uses ACD labs experimental information as input to CLP regulation formula for mixtures both (normal and conservative estimation)
Test type:
other: Rat Oral LD50 data of constituents/ingredients from ACD labs provided by Danish QSAR database used for calculation according to CLP regulation, additivity formula Both normal and conservative estimation.

Test material

Constituent 1
Reference substance name:
Hydrocarbons from mixed waste plastics, thermo-mechanical depolymerization condensate
EC Number:
948-892-9
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.
Specific details on test material used for the study:
Analytical information of the substance constituents are utilized according to analytical information provided in the attachements.

Test animals

Species:
rat

Results and discussion

Effect levels
Key result
Sex:
not specified
Dose descriptor:
LD50
Effect level:
ca. 7 131.2 mg/kg bw
Based on:
other: Oral rat LD50 data of constituents from ACD labs provided by Danish QSAR database as input to acute toxicity estimation formula provided by CLP regulation.
Remarks on result:
other: Rat Oral LD50 data of constituents/ingredients from ACD labs provided by Danish QSAR database used for calculation according to CLP regulation, additivity formula
Remarks:
Conservative formula assuming only 44,4% applicable constituents data result in 3169,1 mg/kg/bw

Applicant's summary and conclusion

Interpretation of results:
GHS criteria not met
Conclusions:
Acute Toxicity Estimate of the intermediate substance according to CLP tiered approach with additivity formula based on actual analytical information of the substance performed in standard laboratories and combined with C>4 hydrocarbon representative data from EPI suite for more coverage have resulted in more than 2000 mg/kg/bw in both scenarios of normal and conservative calculation. Therefore, The intermediate substance that is combination of recovered hydrocarbons is not Acute toxic according to GHS criteria because in normal estimation the effect dose result is 7131,2 and in conservative estimation result is 3169,1 mg/kg/bw in which both results are above 2000 mg/kg/bw.
Executive summary:

The intermediate substance is a combination of recovered hydrocarbons from waste plastics in which the analytical information is available and provided. Acute Toxicity Estimate (ATE) of substance (mixture of constituents) is calculated according to the Tiered approach with additivity formula in CLP regulation. Oral lethal dose of constituents are extracted from valid Danish QSAR database that uses LD50 in rats data from ACD labs. Constituents list are from actual analytical information GC-MS (and headspace) data as well as adding C>4 hydrocarbons represntative data from EPI Suite to broaden the carbon range of hydrocarbons and provide a comprehensive assesment that cover complete range of known and probable hydrocarbons. All information are docuemnted and attached in the dossier. The ATE of the substance according to additivity formula is: 100/ SUM (Ci / ATEi) where Ci is concentration of each constituent and ATEi is lethal dose (Oral Rat LD50) of the constituent from Danish QSAR database. Although the C>4 representative toxicity data has been added to broaden the estimation, a conservative secondary calculation is also performed that assumes only 44,4% of the identified constituents data from GC/MS are applicable. Therefore, the formula changes to 44,4/ SUM (Ci / ATEi) according to CLP regulation which is very conservative. However, both scenarios of normal and conservative calculations results are more than 2000 mg/kg/bw (7131,2 and 3169,1 respectively) that implies the GHS criteria for acute toxicity can not be met.