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Diss Factsheets
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EC number: 264-938-4 | CAS number: 64539-51-1
- 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
![](https://echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_toxicological-information.png)
Endpoint summary
Administrative data
Description of key information
The prediction of the skin sensitising potential was performed using BIOVIA Discovery Studio (TOPKAT) 4.5, VEGA NIC 1.1.4 (CAESAR), OECD QSAR Toolbox 4.1 and Toxtree 2.6.13. The absence of any alert for skin sensitising properties in Toxtree and the OECD Toolbox, the negative prediction by CAESAR and the false-positive prediction for zinc oxide may suggest that the substance is not likely to be sensitising. However there is only low confidence in these predictions as the rules and training data considered in the models are mainly based on purely organic structures. The predictions are therefore not considered conclusive, though the majority of results suggests that the substance is not sensitising.
The substance was found to be negative for skin sensitisation in a reliable murine Local Lymph Node Assay at concentrations of 25%, 10% or 5% w/w.
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation, other
- Remarks:
- In silico
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 29 May 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- The prediction of the skin sensitising potential was performed with BIOVIA Discovery Studio (TOPKAT) 4.5, VEGA NIC 1.1.4 (CAESAR), OECD QSAR Toolbox 4.1 and Toxtree 2.6.13.
- GLP compliance:
- not specified
- Key result
- Parameter:
- other: QSAR
- Remarks on result:
- no indication of skin sensitisation
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- The substance is not predicted to be a skin sensitizer.
- Executive summary:
The prediction of the skin sensitising potential was performed using BIOVIA Discovery Studio (TOPKAT) 4.5, VEGA NIC 1.1.4 (CAESAR), OECD QSAR Toolbox 4.1 and Toxtree 2.6.13. The absence of any alert for skin sensitising properties in Toxtree and the OECD Toolbox, the negative prediction by CAESAR and the false-positive prediction for zinc oxide may suggest that the substance is not likely to be sensitising. However there is only low confidence in these predictions as the rules and training data considered in the models are mainly based on purely organic structures. The predictions are therefore not considered conclusive, though the majority of results suggests that the substance is not sensitising.
- Endpoint:
- skin sensitisation: in vivo (LLNA)
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 04 September 2018 - 25 September 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 429 (Skin Sensitisation: Local Lymph Node Assay)
- Version / remarks:
- 22 July 2010
- Deviations:
- yes
- Remarks:
- Due to the receipt of a replacement sample, the batch number and expiry date differ to those stated in the Study Plan.
- GLP compliance:
- yes
- Type of study:
- mouse local lymph node assay (LLNA)
- Specific details on test material used for the study:
- Batch: 1013T08961
Purity: 100%
Physical state / Appearance: White powder
Expiry Date: 29 March 2019
Storage Conditions: room temperature in the dark - Species:
- mouse
- Strain:
- CBA/Ca
- Remarks:
- CBA/Ca (CBA/CaOlaHsd)
- Sex:
- female
- Details on test animals and environmental conditions:
- The animals were nulliparous and non-pregnant. Acclimatization period of at least 5 days. At the start of the study the animals were in the weight range of 15 to 23 g, and were 8 to 12 weeks old. The animals were housed in suspended solid floor polypropylene cages. Food and water was administered ad libitum. The temperature and relative humidity were set to achieve limits of 19 to 25 °C and 30 to 70%, respectively. The rate of air exchange was at least fifteen changes per hour and the lighting was controlled by a time switch to give 12 hours continuous light and 12 hours darkness.
- Vehicle:
- acetone/olive oil (4:1 v/v)
- Concentration:
- 25%, 10% or 5% w/w.
- No. of animals per dose:
- Four mice/concentration.
- Positive control substance(s):
- hexyl cinnamic aldehyde (CAS No 101-86-0)
- Key result
- Parameter:
- SI
- Value:
- 0.96
- Test group / Remarks:
- 5%
- Key result
- Parameter:
- SI
- Value:
- 0.88
- Test group / Remarks:
- 10%
- Key result
- Parameter:
- SI
- Value:
- 1.49
- Test group / Remarks:
- 25%
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- The substance is not a skin sensitiser under the conditions of the study.
- Executive summary:
A study was undertaken to evaluate the potential of the substance to induce delayed contact hypersensitivity using the murine Local Lymph Node Assay. Evaluation of irritation was also conducted in parallel by measurement of ear thickness. Following a preliminary screening test in which no clinical signs of toxicity were noted at a concentration of 25% w/w, this concentration was selected as the highest dose investigated in the main test of the Local Lymph Node Assay. Three groups, each of four animals, were treated with 50 μL (25 μL per ear) of the substance as a solution in acetone/olive oil 4:1 at concentrations of 25%, 10% or 5% w/w. A further group of four animals was treated with acetone/olive oil 4:1 alone. The Stimulation Index expressed as the mean radioactive incorporation for each treatment group divided by the mean radioactive incorporation of the vehicle control group indicates that the substance is not a skin sensitiser.
Referenceopen allclose all
Prediction results
Model | Prediction result | Reliability (model statistics) | |||
TOPKAT | Positive | Low (probability: 0.78) | |||
CAESAR (VEGA): zinc oxide | Positive | Low (AD index: 0.307) | |||
CAESAR (VEGA): phosphite | Negative | Low (AD index: 0) | |||
Toxtree | No alert | Restricted on 5 skin protein binding principles | |||
|
No alert |
|
|||
|
No alert | The absence of a protein binding alert should not be taken as an absence of toxicity |
Preliminary test results:
The animal treated at a dose level of 50% showed no signs of systemic toxicity or visual local skin irritation but showed an increase in ear thickness of greater than 25% which was considered indicative of excessive irritation.
No signs of systemic toxicity, visual local skin irritation or irritation indicated by an equal to or greater than 25% increase in mean ear thickness were noted in the animal treated at a dose level of 25%.
Based on this information the dose levels selected for the main test were 25%, 10% and 5% w/w in acetone/olive oil 4:1.
Main test:
There were no deaths. No signs of systemic toxicity were noted in the test or control animals during the test.
Body weight change of the test animals between Day 1 and Day 6 was comparable to that observed in the corresponding control group animals over the same period.
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
(Q)SAR predictions are not applicable to metals and inorganic salts, respectively. In chemico & in vitro methods presented in OECD 442C, D & E, describe the biological mechanisms of skin sensitisation initiated by covalent binding of substances to skin proteins. However, this AOP does not cover metals (or allergens of biological origin) but only those substances that form covalent bonds with skin proteins. The OECD 429 LLNA is applicable to the testing of metal compounds/salts (but not for nickel compounds) and so can be considered to be appropriate for testing of the substance (subject to satisfactory formulation in a suitable vehicle to achieve exposure to appropriate test concentrations).
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
Based on the negative findings of a reliable in vivo LLNA assay, classification of the substance is not justified.
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.
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