Registration Dossier
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EC number: 701-208-0 | CAS number: -
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
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- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
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- Nanomaterial aspect ratio / shape
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- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
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- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
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- Additional toxicological data

Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- (Q)SAR
- Adequacy of study:
- disregarded due to major methodological deficiencies
- Study period:
- 2008
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- Derived using calculation method software. Current versions of EPIWIN, (Estimations Programs Interface for Windows) developed jointly by the Syracuse Research Corporation and the US Environmental Protection Agency, have not been validated for salts or chemicals that are of variable composition. This substance is a complex mixture comprising a number of molecules of varying structure with a distribution of carbon chain lengths with varying numbers of alkyl-phenol rings and sulfur bridging between those alkyl-phenol rings. As such the calculated value presented is based upon a theoretical structure and results are not considered to be representative of the values that would be predicted for the substance as a whole. As such the estimated values derived from the EPIWIN models have been disregarded for this submission as they are not considered to add any meaningful information to the data presented.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: estimation model
- Title:
- Unnamed
- Year:
- 2 008
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- EPIWIN V3.12 Level III Fugacity
- Release year:
- 2 008
- Media:
- other: air - sediment(s) - soil - water
Test material
- Reference substance name:
- Phenol, paraalkylation products with C10-15 branched olefins (C12 rich) derived from propene oligomerization, carbonates, calcium salts, sulfurized, including distillates (petroleum), hydrotreated, solvent-refined, solvent-dewaxed, or catalytic dewaxed, light or heavy paraffinic C15-C50
- EC Number:
- 701-208-0
- Molecular formula:
- A precise molecular formula can not be provided as the substance is a UVCB.
- IUPAC Name:
- Phenol, paraalkylation products with C10-15 branched olefins (C12 rich) derived from propene oligomerization, carbonates, calcium salts, sulfurized, including distillates (petroleum), hydrotreated, solvent-refined, solvent-dewaxed, or catalytic dewaxed, light or heavy paraffinic C15-C50
- Details on test material:
- 122384-87-6 (mono-sulfur derivative)/68784-26-9/122384-86-5/98784-25-8
Phenol, tetrapropenyl-, sulfurized, carbonates, calcium salts, overbased
- Molecular formula: C36 H58 O10 S1 Ca4
- Molecular weight: 867.25
- Smiles notation: CC(C)CC(C)CC(C)CC(C)c1cc(Sc2cc(C(C)CC(C)CC(C)CC(C)C)ccc2O[Ca]OC(=O)(O[Ca]O))c(O[Ca]OC(=O)(O[Ca]O))cc1
- Physical state: solid
- Other: mono-sulfur derivative
Constituent 1
Study design
- Test substance input data:
- - Molar mass: 867.25
- Water solubility: 5.551E-008 mg/L
- Vapour pressure: 7.25e-028 mm Hg (Mpbpwin program)
- log Pow: 8.99 (Kowwin program)
- Melting point: 350 deg C (Mpbpwin program)
- Reaction half-life (hours) estimates for
- Air: 3.082
- Water: 4320
- Soil: 8640
- Sediment: 38,880
Results and discussion
Percent distribution in media
- Air (%):
- 0.01
- Water (%):
- 0.73
- Soil (%):
- 41.2
- Sediment (%):
- 58.1
Any other information on results incl. tables
Fugacity (atm) | Half-Life (hr) | Advection Time (hr) | |
Air | 1.4e-030 | 3.082 | 100 |
Water | 3.2e-029 | 4320 | 1000 |
Soil | 1.36e-030 | 8640 | - |
Sediment | 8.64e-029 | 3.888e+004 | 5e+004 |
Applicant's summary and conclusion
- Conclusions:
- The EPIWIN (V3.12) Level III Fugacity Model estimates the percentage distribution to be 0.01, 0.73, 41.2 and 58.1 for air, water, soil and sediment respectively for the mono-sulfur derivative of the test material.
- Executive summary:
The EPIWIN (V3.12) Level III Fugacity Model estimates the percentage distribution to be 0.01, 0.73, 41.2 and 58.1 for air, water, soil and sediment respectively for the mono-sulfur derivative of the test material.
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