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Diss Factsheets
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EC number: 947-393-3 | 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
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Study period:
- 2018-02-22 to 2018-04-24
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Remarks:
- Calculation method is used; calculation method applicable for that endpoint.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 202 (Daphnia sp. Acute Immobilisation Test)
- Deviations:
- yes
- Remarks:
- calculation method
- Principles of method if other than guideline:
- The acute toxicity to daphnia was determined using a validated QSAR for the Mode of Action in question. The first step of the iSafeRat mixture toxicity calculation employs phase equilibrium thermodynamics in order to determine the concentrations of each constituent within the WAF. This fraction equates to the analyzable fraction of a WAF study.
Within the WAF, the constituents also partition between themselves further reducing the bioavailable fraction and thus the toxicity of the mixture compared to the individual constituents. In the calculation the second step is to remove this non-bioavailable fraction.
The final step is to determine the truly bioavailable fraction of the WAF per constituent. The EC50s of each constituent are already known from literature or calculated using the iSafeRat QSAR model. An additivity approach (based on Chemical Activity of each constituent) is used in order to calculate the Effective Loading rate of the WAF.
The method has been validated using data derived from 48-hour EC50 tests on aquatic invertebrates, for which the concentrations of the test item had been determined by chemical analyses over the test period. Further to this the effective loading rate of the WAF is determined by using a series of calculation steps using phase equilibrium thermodynamics and excluding the non-bioavailable fraction. - GLP compliance:
- not specified
- Specific details on test material used for the study:
- Not applicable.
- Analytical monitoring:
- not required
- Details on sampling:
- Not applicable
- Vehicle:
- no
- Details on test solutions:
- Not applicable.
- Test organisms (species):
- Daphnia magna
- Details on test organisms:
- Not applicable.
- Test type:
- other: Calculation method.
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 48 h
- Remarks on exposure duration:
- 48h-EL50 (effective loading rate of WAF)
- Post exposure observation period:
- Not applicable.
- Hardness:
- Hardness is not a necessary component of the WAF calculation
- Test temperature:
- The Temperature is not a necessary component of the WAF calculation.
- pH:
- The pH is not a necessary component of the WAF calculation
- Dissolved oxygen:
- The oxygen concentration is not a necessary component of the WAF calculation
- Salinity:
- Salinity is not a necessary component of the WAF calculation.
- Nominal and measured concentrations:
- The calculation determines measured concentrations.
- Details on test conditions:
- Calculation method.
- Reference substance (positive control):
- not required
- Key result
- Duration:
- 48 h
- Dose descriptor:
- EL50
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Remarks on result:
- other: based on the typical composition, the 48h-EL50 of the substance was predicted to be > water solubility limit
- Details on results:
- Not applicable.
- Results with reference substance (positive control):
- Not applicable.
- Reported statistics and error estimates:
- Not applicable.
- Validity criteria fulfilled:
- yes
- Conclusions:
- Based on a calculation method on a typical composition, the following toxicity value has been found for the registered substance: 48h-EL50 > water solubility limit
- Executive summary:
The 48h-EL50 of Patchouli EO Fraction Alpha Guaiene Rich is a Natural Complex Substance (UVCB) with a well-defined composition. Its acute toxicity to aquatic invertebrates has been investigated using an in-house calculation method that replaces an OECD 202 study and guideline for Testing of Chemicals No. 23 (i.e. WAF conditions). A typical composition of the substance has been investigated.
The first step of the iSafeRat mixture toxicity calculation employs phase equilibrium thermodynamics in order to determine the concentrations of each constituent within the WAF. This fraction equates to the analysable fraction of a WAF study. In the calculation the second step is to remove this non-bioavailable fraction. Within the WAF, the constituents also partition between themselves further reducing the bioavailable fraction and thus the toxicity of the mixture compared to the individual constituents.
These two reasons explain why ecotoxicity values from WAF studies are always higher for non-polar narcotic mixtures than the calculated values from CLP additivity calculation.The final step is to determine the truly bioavailable fraction of the WAF per constituent. The EC50s of each constituent are already known from literature or predicted using the iSafeRat QSAR model. An additivity approach (based on Chemical Activity of each constituent) is used in order to calculate the Effective Loading rate of the WAF.
Using a loading rate of 0.15 mg/L,i.e.at the maximal solubility of the UVCB in water, and after removal of the nonbioavailable fraction, the remaining solubilised fraction is not sufficient to exert any toxicity effect. Therefore it is not possible to determine a 48h-EL50 below the water solubility limit.
Based on its typical composition, the 48h-EL50 of Patchouli EO Fraction Guaiene Rich was therefore predicted to be greater than the water solubility limit within the exposure period of the test..
Results Synopsis
Test Type: Calculation method
48h-EL50: Higher than water solubility
Reference
No data.
Description of key information
Based on a calculation method, the following toxicity value has been found for the registered substance:
- 48h-EL50 > water solubility limit
Key value for chemical safety assessment
Additional information
For that endpoint, one study with the registered substance was available: an in-house calculation method that replaces an OECD 202 study and guideline for Testing of Chemicals No. 23 (i.e. WAF conditions). The typical composition of the substance has been investigated. The algorithm used for the purpose of this study is based on a QSAR model which has been validated to be compliant with the OECD recommendations for QSAR modeling (OECD, 2004).
The first step of the iSafeRat mixture toxicity calculation employs phase equilibrium thermodynamics in order to determine the concentrations of each constituent within the WAF. This fraction equates to the analysable fraction of a WAF study. In the calculation the second step is to remove this non-bioavailable fraction. Within the WAF, the constituents also partition between themselves further reducing the bioavailable fraction and thus the toxicity of the mixture compared to the individual constituents.
These two reasons explain why ecotoxicity values from WAF studies are always higher for non-polar narcotic mixtures than the calculated values from CLP additivity calculation.The final step is to determine the truly bioavailable fraction of the WAF per constituent. The EC50s of each constituent were already known from litterature or were predicted using the iSafeRat QSAR model.
Then, an additivity approach (based on Chemical Activity of each constituent) is used in order to calculate the Effective Loading rate of the WAF.
Using a loading rate of 0.15 mg/L,i.e.at the maximal solubility of the UVCB in water, and after removal of the non-bioavailable fraction, the remaining solubilised fraction is not sufficient to exert any toxicity effect. Therefore it is not possible to determine a 48h-EL50 below the water solubility limit.
Based on the results of this study, the substance would not be classified as acute 1 to aquatic organisms in accordance with the classification of the CLP.
This toxicity study is considered as acceptable and can be used for that endpoint.
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.