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
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- 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
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data

Henry's Law constant
Administrative data
- Endpoint:
- Henry's law constant
- 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
Test guideline
- Guideline:
- other: REACH guidance on QSARS R.6, 2008
- Principles of method if other than guideline:
- Henry’s Law Constant (HLC), estimated according to Vapour Pressure divided by water solubility.
Vapor pressure: 7.25e-028 mm Hg
Water solubility: 5.55e-008 mg/L - GLP compliance:
- no
- Remarks:
- not applicable
Test material
Reference
- Name:
- Unnamed
- Type:
- Constituent
- Details on test material:
- 122384-87-6 (mono-sulfur derivative)/68784-62-0/122384-86-5/68784-25-8
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
Results and discussion
Henry's Law constant H
- H:
- ca. 0 atm m³/mol
Any other information on results incl. tables
Henry’s Law Constant = 1.490e-020 atm-m3/mole
Applicant's summary and conclusion
- Conclusions:
- EPISuite - HENRY version 3.10 estimates the Henry’s Law Constant to be 1.490e-020 atm-m3/mole for the mono-sulfur derivative of the substance.
- Executive summary:
EPISuite - HENRY version 3.10 estimates the Henry’s Law Constant to be 1.490e-020 atm-m3/mole for the mono-sulfur derivative of the substance.
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