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Diss Factsheets
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EC number: 946-968-6 | 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
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- August, 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- See attached QMRF and QPRF documents.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: QSAR models predicts water solubility consistent with EPA OPPTS 830.7840 (Water Solubility)
- Version / remarks:
- Use of QSAR model is consistent with ECHA "Guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals".
- Deviations:
- not applicable
- Principles of method if other than guideline:
- See attached QMRF and QPRF documents.
- Specific details on test material used for the study:
- Water solubility was predicted for eight individual constituents of the UVCB substance. These components, along with water, comprise ca. 98% of the quantified constituents and ca. 78% of the total composition.
- Key result
- Water solubility:
- >= 2.4 - <= 3 mg/L
- Conc. based on:
- other: eight (8) individual constituents of the UVCB substance
- Temp.:
- 25 °C
- Remarks on result:
- other: Predicted using QSAR model
- Conclusions:
- The water solubility of [ω-hydroxy-C16 (saturated and unsaturated) and C16 (unsaturated)] fatty acids is predicted to be in the concentration range of 2.4-3mg/L based on the predicted solubility and loading rate of eight constituents of the UVCB substance.
- Executive summary:
Water solubility was predicted for eight (8) individual constituents of the UVCB substance using the ECOSAR program version 2.0. These components, along with water, comprise more than ca. 98% of the quantified constituents and ca. 78% of the total UVCB composition. All of the constituents are comprised only of carbon, hydrogen, and oxygen atoms arranged in structures and functional groups commonly found in biological systems. The constituents are within the ranges of molecular weight, solubility, and log Kow represented by the model training set. Therefore, the predicted results are considered to be within the applicability domain of the model.
The typical concentration and solubility limit of each UVCB constituent were considered. The lowest predicted UVCB solubility is 2.7mg/L, based on the loading of the hexadecanoic acid constituent. The UVCB substance is predicted to be completely soluble up to a concentration range of 2.4 -3 mg/L, above which the hexadecanoic acid constituent is predicted to reach saturation and precipitate. Therefore the ater solubility of [ω-hydroxy-C16 (saturated and unsaturated) and C16 (unsaturated)] fatty acids is predicted to be 2.4 -3mg/L.
Reference
Description of key information
The water solubility of [ω-hydroxy-C16 (saturated and unsaturated) and C16 (unsaturated)] fatty acids was predicted for eight (8) individual constituents of the UVCB substance using the ECOSAR (Ecological Structure-Activity Relationship) Class Program version 2.0. These components, along with water, comprise more than ca. 98% of the quantified constituents and ca. 78% of the total UVCB composition. The lowest predicted constituent solubility is 2.7mg/L, based on the loading of the hexadecanoic acid constituent. The UVCB substance is predicted to be soluble in water up to a concentration of 2.4 -3mg/L. At higher UVCB concentrations, the hexadecanoic acid constituent is predicted to reach saturation and precipitate.
Key value for chemical safety assessment
- Water solubility:
- 2.7 mg/L
- at the temperature of:
- 25 °C
Additional information
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.