Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
basic toxicokinetics, other
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
QSAR modeling to predict the metabolism

Data source

Materials and methods

Test material

Constituent 1
Chemical structure
Reference substance name:
Phenol, paraalkylation products with C10-15 branched olefins (C12 rich) derived from propene oligomerization, carbonates, calcium salts, overbased, sulfurized including distillates (petroleum), hydrotreated, solvent-refined, solvent-dewaxed, or catalytic dewaxed, light or heavy paraffinic C15-C50
EC Number:
701-251-5
Molecular formula:
Formula for a representative structure is C36H58Ca2O4Sx where x = 1,2. Actual molecular formula is not possible to generate. Substance is a UVCB.
IUPAC Name:
Phenol, paraalkylation products with C10-15 branched olefins (C12 rich) derived from propene oligomerization, carbonates, calcium salts, overbased, sulfurized including distillates (petroleum), hydrotreated, solvent-refined, solvent-dewaxed, or catalytic dewaxed, light or heavy paraffinic C15-C50
Test material form:
liquid: viscous
Details on test material:
- Name and of test material (as cited in study report): Phenol, tetrapropenyl-, sulfurized, carbonates, calcium salts, overbased
- CAS number of test material (as cited in study report): 68784-26-9
- Physical state: Dark brown viscous liquid
- Other: The test substance was assumed to be 100% active ingredient. Stability and purity data were the responsibility of the sponsor.

Results and discussion

Main ADME results
Type:
metabolism
Results:
The metabolism is predicted to occur based on known pathways, specifically, oxidation of the alkyl chain followed by phase II metabolism (e.g., glucuronidation)

Metabolite characterisation studies

Metabolites identified:
yes
Details on metabolites:
The metabolism is predicted to occur based on known pathways, specifically, oxidation of the alkyl chain followed by phase II metabolism (e.g., glucuronidation)

Applicant's summary and conclusion

Executive summary:

The metabolism of the notified substances was evaluated using LMC OASIS TIMES (v2.28.1.4) in vitro rat liver simulator (v.11.15). The complete metabolism report (QPRF), with full details on the predicted metabolism, is attached. The metabolism is predicted to occur based on known pathways, specifically, oxidation of the alkyl chain followed by phase II metabolism (e.g., glucuronidation)

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