Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

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 via 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 is determined using valid QSAR model via PETROTOX software based on substance detailed analytical determination of the registered substance 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.

Data source

Reference
Reference Type:
other: QSAR
Title:
Unnamed
Year:
2017

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 substance 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:
no
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

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

Study design

Analytical method:
other: The partition coefficient (Log Kow) is determined using valid QSAR model via PETROTOX software.

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
ca. 7.32
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 software is reported as average log Kow.

Applicant's summary and conclusion

Conclusions:
The average log Kow ( partition coefficient water-otanol ) is caluclated as 7,32
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.