Registration Dossier
Registration Dossier
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EC number: 701-208-0 | CAS number: -
Basic toxicokinetics
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
- 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.
Constituent 1
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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