Registration Dossier
Registration Dossier
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EC number: - | CAS number: -
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Remarks:
- The average partition coefficient (Log Kow) of the intermediate substance is determined using valid QSAR model in PETROTOX software based on substance detailed analytical information.
- 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
- Justification for type of information:
- The average partition coefficient (Log Kow) of the intermediate substance as combination of hydrocarbons is determined using valid QSAR model via PETROTOX software based on substance detailed analytical determination reported in analytical information. The model uses rich library of CONCAWE physical and chemical properties of hydrocarbons as well as solubility and octanol-water coefficients of hydrocarbon molecules.
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- The average partition coefficient (Log Kow) of the intermediate UVCB substance that is combination of hydrocarbons is determined using valid QSAR model via PETROTOX software based on substance detailed determination of hydrocarbon blocks as presented in analytical information. The model uses rich library of CONCAWE physical and chemical properties as well as solubility and octanol-water coefficients of hydrocarbon molecules.
- GLP compliance:
- not specified
- Remarks:
- QSAR model
- Type of method:
- other: Calculated using valid QSAR method via PETROTOX software
- Remarks:
- QSAR model based on substance detailed analytical information. The model uses rich library of CONCAWE physical and chemical properties as well as solubility and octanol-water coefficients of hydrocarbon molecules.
- Partition coefficient type:
- octanol-water
Test material
- 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.
Constituent 1
Study design
- Analytical method:
- other: The partition coefficient (Log Kow) is determined using valid QSAR model via PETROTOX software based on detailed analytical information of the intermediate substance.
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 7.68
- Remarks on result:
- other: estimated using valid QSAR model
- Remarks:
- The average partition coefficient (Log Kow) is determined using valid QSAR model via PETROTOX software based on substance detailed determination of hydrocarbon blocks as presented in analytical information. The model uses rich library of CONCAWE physical and chemical properties as well as solubility and octanol-water coefficients of hydrocarbon molecules.
- Details on results:
- The result in the PETROTOX software is reported as average log Kow of the intermediate substance.
Applicant's summary and conclusion
- Conclusions:
- The average log Kow ( partition coefficient water-otanol ) is caluclated as 7,68.
- Executive summary:
The average partition coefficient (Log Kow) of the intermediate substance is determined using PETROTOX software based on substance detailed determination of hydrocarbon blocks as presented in analytical information. The model uses rich library of CONCAWE physical and chemical properties as well as solubility and octanol-water coefficients of hydrocarbon molecules. The input data to the model is based on actual analytical information of the UVCB intermediate substance. The average Log Kow according to the attached model is 7,68.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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