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EC number: 214-881-6 | CAS number: 1205-17-0
- 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

Long-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- long-term toxicity to aquatic invertebrates
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- other:
- Endpoint:
- long-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 2022
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- For detailed description of the model and its applicability domain, see attached QMRF and QPRF document.
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSAR R.6
- Principles of method if other than guideline:
- Calculation of Long-Term toxicity in daphnids. Software used: ECOSAR 2.0 for chemical class "Aldehydes (Mono)"
- GLP compliance:
- no
- Specific details on test material used for the study:
- SMILES: CC(Cc1ccc2OCOc2c1)C=O
- Analytical monitoring:
- not required
- Test organisms (species):
- other: daphnia
- Water media type:
- freshwater
- Total exposure duration:
- 21 d
- Remarks on exposure duration:
- chronic exposure
- Key result
- Duration:
- 21 d
- Effect conc.:
- 0.08 mg/L
- Remarks on result:
- other: ChV (chronic value, QSAR); The substance is within the applicability domain of the model.
- Validity criteria fulfilled:
- yes
- Conclusions:
- Using ECOSAR v2.0 the long-term toxicity ChV value for daphnids was calculated to be 0.08 mg/L. The substance is within the applicability domain of the model.
- Executive summary:
The long-term toxicity in fish was calculated using ECOSAR v2.0 from US Environmental Protection Agency.
The adequacy of a prediction depends on the following conditions:
a) the (Q)SAR model is scientifically valid: the scientific validity is established according to the OECD principles for (Q)SAR validation;
b) the (Q)SAR model is applicable to the query chemical: a (Q)SAR is applicable if the query chemical falls within the defined applicability domain of the model;
c) the (Q)SAR result is reliable: a valid (Q)SAR that is applied to a chemical falling within its applicability domain provides a reliable result;
d) the (Q)SAR model is relevant for the regulatory purpose.
For assessment and justification of these 4 requirements the QMRF and QPRF files were developed and attached to this study record.
Description of the prediction Model
The prediction model was descriped using the harmonised template for summarising and reporting key information on (Q)SAR models. For more details please refer to the attached QSAR Model Reporting Format (QMRF) file.
Assessment of estimation domain
The assessment of the estimation domain was documented in the QSAR Prediction Reporting Format file (QPRF). Please refer to the attached document for the details of the prediction and the assessment of the estimation domain.
Referenceopen allclose all
Organism | Duration | Endpoint | Concentration (mg/L) | Max Log Kow | Flags |
Fish | 96h | LC50 | 7.54 | 5 | |
Daphnid | 48h | LC50 | 6.61 | 5 |
|
Green Algae | 96h | EC50 | 4.07 | 6.4 |
|
Fish |
| ChV | 0.87 | 8 | |
Daphnid |
| ChV | 0.08 | 8 |
|
Green Algae |
| ChV | 1.71 | 8 |
|
Description of key information
According to Annex XI, paragraph 1.3 results obtained from valid QSAR models may be used instead of testing. A QSAR calculation is available for this endpoint showing that the substance is not chronic toxic to daphnids.
Based on the results of the QSAR calculation for the long-term toxicity to daphnids, the information from the short-term aquatic toxicity tests with fish, daphnia and algae and the information from the chronic algae and daphnia tests - it can be shown that the substance is not aquatic toxic. Thus, to avoid unnecessary testing on vertebrate animals no additional test on long-term toxicity to daphnids is needed to be able to conclude on the non-toxicity of the substance for aquatic organisms.
Furthermore, this is supported by the good solubility in water (934000 mg/L) and the low bioaccumulation potential (log Kow = 2.4).
For further justification, please refer to 'Additional information'.
Key value for chemical safety assessment
Additional information
Long-term toxicity testing on aquatic invertebrates (Annex IX, Section 9.1.5.; test method: EU C.20./OECD TG 211)
The Registrant adapts the information requirements under Annex IX of REACH with regard to long-term toxicity testing on aquatic invertebrates in accordance with Annex XI, Section 1.3 by providing the requested information using an appropriate QSAR method. Additionally, an Expert Judgement was performed in order to support the evidence that the substance is not expected to be chronically harmful to aquatic invertebrates. A robust study summary of the QSAR estimation and the Expert Judgement is provided below.
QSAR data on long-term toxicity to aquatic invertebrates
The long-term toxicity on aquatic invertebrates has been assessed using ECOSAR v2.0 (US Environmental Protection Agency). The long-term toxicity (21 d) value for daphnids was calculated to be 0.08 mg/L, showing that the substance is not chronic toxic to daphnia. The substance is within the applicability domain of the model.
Expert Judgement
The structure as well as the physico-chemical properties of the Substance are clearly identified. The substance was shown to be not rapidly, but inherently biodegradable (Rudio, 1998; Desmares-Koopmans, 2002). However, it is regarded as being potentially persistent (P) or very persistent (vP) according to the ECHA Guidance on PBT/vPvB assessment (2017). Based on the log Know value of 2.4 the substance has no potential for bioaccumulation. Even though none of the endpoints for aquatic ecotoxicity (NOEC, EC50, LC50 and EC10) are < 0.1 mg/L (the trigger value for toxicity (T)), α-methyl-1,3-benzodioxole-5-propionaldehyde (HLF) does fulfil the toxicity (T) criteria as it is classified as toxic for reproduction (category 2, H361). It is classified for chronic aquatic toxicity into Category 2 (H411) according to Regulation (EC) No 1272/2008. This classification is triggered by the absence of chronic toxicity data in combination with the substance being not readily biodegradable.
Reliable QSAR predictions for long-term toxicity to aquatic invertebrates and fish are available for the substance. The long-term toxicity in fish was calculated using ECOSAR v2.0 from US Environmental Protection Agency. The long-term toxicity value for fish was calculated to be 0.87 mg/L.
The long-term NOEC of 0.08 mg/L for aquatic invertebrates and the long-term NOEC of 0.87 mg/L for fish indicate that long-term effects on aquatic invertebrates and fish are not to be expected. Moreover, the Substance was studied in short-term aquatic tests (algae, daphnia and fish). In the acute toxicity study with fish (Oncorhynchus mykiss, Parr, 2015), a 96 h LC50 value of 5.3 mg/L was observed. The Lowest Observed Effect Concentration and No Observed Effect Concentration based on mean-measured test concentrations were considered to be 4.5 and 2.4 mg/L, respectively. The short-term toxicity test to aquatic invertebrates (Daphnia magna, Lenertz, 2001) revealed an 48 h EC50 of 8.3 mg/L. The 72 h ErC50 for algae (Pseudokirchneriella subcapitata, Vryenhoef, 2013) was determined to be 28 mg/L, the NOEC and LOEC values based on the growth rate were determined to be 6.25 and 12.5 mg/L, respectively. The 72 h EyC50 was determined to be 14 mg/L (95 % CL 13 to 16 mg/L); the NOEC and LOEC values based on the yield were determined to be 6.25 and 12.5 mg/L, respectively.
The available short-term toxicity data for the three trophic levels (fish, aquatic invertebrates and algae, please see table below) do not indicate a concern for a high sensitivity of aquatic invertebrates.
Table 1. Key results from short-term toxicity aquatic tests
Test organism | Key result [mg/L] | Test Guidance | Reference |
Fish (Oncorhynchus mykiss) | 96 h LC50 = 5.3 | OECD 203 | Parr, 2015 |
Aquatic invertebrates (Daphnia magna) | EC50 = 8.3 | OECD 202 | Lenertz, 2001 |
Algae (Pseudokirchneriella subcapitata) | EC50 = 28 NOEC = 6.25 | OECD 201 | Vryenhoef, 2013 |
Taken together, the intrinsic properties of the Substance indicate that significant and relevant long-term effects on aquatic invertebrates are not expected to occur. The substance has no specific mode of action and does not produce structural alerts for relevant effects.
The Substance has no specific mode of action and does not produce structural alerts for relevant effect. Overall, it can be concluded, that the available data on the Substance’s toxicity and properties lead to the conclusion that the substance has not a particular dangerous or harmful property in terms of the long-term toxicity to daphnia. Therefore, further testing does not seem justified and long-term toxicity testing on aquatic invertebrates will not be performed.
References:
ECHA (2017). Guidance on Information Requirements and Chemical Safety Assessment Chapter R.11: PBT/vPvB assessment. Version 3.0, June 2017. ECHA-17-G-12-EN.
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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