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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
Acute Toxicity: oral
Administrative data
- Endpoint:
- acute toxicity: oral
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- March, 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 QPRF and QMRF documents.
Data source
Reference
- Reference Type:
- other: QSAR
- Title:
- Commercial ACD/Labs model for acute toxicity (LD50) in rats, oral administration, Danish QSAR Group at DTU Food version 2.95.1
- Author:
- Advanced Chemistry Development Inc. (http://www.acdlabs.com/home/)
- Year:
- 2 010
- Bibliographic source:
- Sazonovas, A., Japertas, P., and Didziapetris, R. (2010) Estimation of reliability of predictions and model applicability domain evaluation in the analysis of acute toxicity (LD50). SAR and QSAR in Environmental Research, 21:1-2, 127-148.
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: QSAR models predicts acute toxicity consistent with OECD 401 Acute Oral Toxicity
- 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".
- Principles of method if other than guideline:
- Use of QSAR model is consistent with ECHA "Guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals".
Test material
- Reference substance name:
- [ω-hydroxy-C16 (saturated and unsaturated) and C16 (unsaturated)] fatty acids
- EC Number:
- 946-968-6
- IUPAC Name:
- [ω-hydroxy-C16 (saturated and unsaturated) and C16 (unsaturated)] fatty acids
- Test material form:
- semi-solid (amorphous): gel
- Details on test material:
- Identification: [ω-hydroxy-C16 (saturated and unsaturated) and C16 (unsaturated)] fatty acids
Appearance: Brown semi-solid gel (at 20°C)
Constituent 1
Results and discussion
Effect levels
- Key result
- Sex:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- > 2 000 mg/kg bw
- Based on:
- other: seven UVCB constituents
- Remarks on result:
- not measured/tested
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Remarks:
- Not classified according to Regulation (EC) No 1272/2008
- Conclusions:
- All seven of the UVCB constituents present in the Danish (Q)SAR database are predicted to have LD50 values ≥3900 mg/kg bodyweight in rats via oral administration. The acute toxicity of [ω-hydroxy-C16 (saturated and unsaturated) and C16 (unsaturated)] fatty acids to rats via the oral route is > 2000 mg/kg bodyweight.
- Executive summary:
The acute toxicity of [ω-hydroxy-C16 (saturated and unsaturated) and C16 (unsaturated)] fatty acids to rats via the oral route of administration was predicted using the Commercial ACD/Labs model for acute toxicity. Acute toxicity was predicted for seven (7) individual components of the substance. These components, along with water, comprise ca. 98% of the quantified constituents and ca. 78% of the total UVCB composition. All of the predicted LD50 values are greater than 2000 mg/kg bodyweight, which is the minimum concentration for acute oral toxicity classification according to Regulation (EC) No 1272/2008 on classification, labelling and packaging (CLP) of substances and mixtures. Although three of the Reliability Index values for these predictions were below 0.5, the lowest LD50 prediction of 3900 mg/kg is still nearly twice the classification threshold. This affords a wide margin for error in the prediction before any single constituent could be classifiable as acutely toxic under GHS or CLP guidelines. The relatively high predicted LD50 values provides sufficient weight of evidence to adequately assess the acute toxicity of the UVCB substance to rats via the oral route of administration.
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