Casoil

Acute Toxicity: oral

Administrative data

Endpoint:

acute toxicity: oral

Type of information:

other: Calculation accoridng to CLP regulation for Acute Toxicity Estimate of mixtures based on information from Danish QSAR database and actual analytical information of the intermediate substance

Remarks:

Danish QSAR data base is used for calculation according to CLP regulation and based on actual analytical information of the constituents in the intermediate susbtance

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:

All applied DTU QSAR models are documented in QMRFs and include more than 600,000 substances. Constituents data are from actual analytical information attached and perofmed in 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 data 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.

Data source

Reference

Reference Type:

other company data

Title:

Unnamed

Year:

2017

Materials and methods

Test guideline

Qualifier:

equivalent or similar to guideline

Guideline:

EU Method B.1 (Acute Toxicity (Oral))

Version / 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

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 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 substance according to additivtiy 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.

GLP compliance:

not specified

Remarks:

Calculation based on consituents lethal dose data from Danish QSAR databse that uses ACD labs experimental information

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

Test material

Test material information

Constituent 1

Reference substance name:

Hydrocarbons from waste rubbers and tires, thermo-mechanical depolymerisation condensate

Molecular formula:

unknown. explained in remark.

IUPAC Name:

Hydrocarbons from waste rubbers and tires, thermo-mechanical depolymerisation condensate

Test material form:

liquid

Details on test material:

Hydrocarbons from waste rubbers and tires, thermo-mechanical depolymerisation condensate

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. 9 886.7 mg/kg bw

Based on:

not specified

Remarks:

Data of constituents from Danish QSAR database that uses Oral rat LD50 from ACD labs

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:

Reported result is based on 100% constituent knwn data and Conservative LD50 result assuming only 40% applicable constituents data is also 3954,7 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 perofmed in standard laboratories and combined with C>4 hydrocarbon representative data from EPI suite for more covergae 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.

Executive summary:

The intermediate substance is a combination of recovered hydrocarbons from waste rubbers and tires 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 substance according to additivtiy 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 calcualtion is also perfomed that assumes only 40% of the detailed consituents data from GC/MS is applicable. Therefore, the formula changes to 40/ SUM (Ci / ATEi) according to CLP regulation which is more conservative. However, both scenarios of normal and conservative calculations result in more than 2000 mg/kg/bw ( 9886 and 3954 respectively) that implies the GHS criteria for acute toxicity can not be met.