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EC number: 232-439-0 | CAS number: 8029-68-3 A complex product obtained by the sulfonation and ammoniation of the distillation product from bituminous schists. It may contain saturated and unsaturated hydrocarbons, nitrogen bases and thiophene derivatives.
- 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
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Study period:
- April to May 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- In the literature Sulfonated Shale Oils (such as Ichthammol) are described as viscous, brown-blackish, neutral liquids of characteristic odor. Their status as liquids results from the fact that water appearing as a by-product in course of the manufacturing process (sulfonation and neutralization of a distillate resulting from destructive distillation of organic matter rich limestones) is considered an intrinsic part of the substance.
With all water removed what remains is the so-called “dry matter”, a solid which is composed of sulfonated (alkylated) aromatic salts with thiophene derivatives as the main heterocyclic entities.
The main compounds have surfactant properties with the oil based organic part being lipophilic and the sulfonate group being of hydrophilic nature (R-SO2-ONH4). As a surfactant Ichthammol is capable of forming emulsions with oils. In fact, Ichthammol itself can be regarded as an emulsion as unsulfonated oil is part of the substance to some extent.
Due to the extreme complexity of the substance resolution of the molecular structures is not possible. It can be assumed that the substance is largely ionized in water. In a octanol-water mixture formation of a third phase between octanol and water is observed (emulsion). However, based on colouring of the (clouded) water and octanol phase a partition coefficient can be calculated.
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: COUNCIL REGULATION (EC) No 440/2008 laying down test methods pursuant to Regulation (EC) No 1907/2006 (REACH): A.8. PARTITION COEFFICIENT Appendix I Estimation Method
- Version / remarks:
- 30 May 2008
- Deviations:
- not applicable
- Principles of method if other than guideline:
- Solubility of substances is addressed in chapter 1.4 of the European Pharmacopoeia (9th edition, 2018). The approximate volume of solvent in millilitres per gram of solute is taken as a measure for the extent of solubility. Solubility is checked in such a way that ratios of solvent and solute are prepared in order to facilitate classification of a test substance with regard to the descriptive term (e.g. “practically insoluble” if more than 10000 ml of solvent per gram of solute is needed).
In this case Ichthammol was added to a mixture of equal volumes of octanol and water. From colouring of the two phases the concentration of Ichthammol is deduced and the partition coefficient calculated. - GLP compliance:
- yes
- Remarks:
- Quality Control Laboratory in a GMP certified pharmaceutical manufacturer (quality standard comparable to GLP)
- Other quality assurance:
- other: GMP
- Type of method:
- estimation method (solubility ratio)
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Ichthammol
- EC Number:
- 232-439-0
- EC Name:
- Ichthammol
- Cas Number:
- 8029-68-3
- Molecular formula:
- unspecified
- IUPAC Name:
- Ichthammol (UVCB substance)
- Test material form:
- liquid: viscous
- Details on test material:
- sample from a batch from regular production released for use as an active pharmaceutical ingredient in medicinal products.
1
- Specific details on test material used for the study:
- batch 2/18 from regular production at registrant's manufacturing site
Study design
- Analytical method:
- other: concentration correlation based on colouring of octanol and water phase and solubility testing with classification according to European Pharmacopoeia, 9th edition, 2018, chapter 1.4
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. -0.4
- Temp.:
- 20 °C
- pH:
- >= 6 - <= 7.5
Applicant's summary and conclusion
- Conclusions:
- Assessment of the partition coefficient by correlating the color of water and octanol phase results in a log Pow of less than zero (-0.4). This result is in line with what is known about partition coefficients of surfactants with a known molecular structure (as e.g. sodium laureth sulfates). Ichthammol has properties of a surfactant as it is composed of sulfonated shale oil fractions mainly in its "dry matter".
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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