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EC number: - | 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)
Description of key information
For the substance, an EC50 of 9.84 mg/L for Daphnia was derived by calculating the weighted average of the effect levels of two constituents. The effect levels of the two constituents were predicted via ECOSAR using the log Kows of 3.1 and 2.76 for Ethyl 2-methyl-3-pentenoate and Ethyl 2‐methylpentanoate, respectively.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Dose descriptor:
- EC50
- Effect concentration:
- 9.84 mg/L
Additional information
The substance is a multi-constituent consisting of 62% Ethyl 2-methyl-3-pentenoate and 32% Ethyl 2‐methylpentanoate. The acute toxicity of the substance to Daphid is derived by calculating the weighted average of the effect levels of these two constituents. The EC50 of the substance was determined to be 9.84 mg/L. The acute effect levels of the two constituents to Daphnid were predicted by ECOSAR. The results are addressed below.
ECOSAR results of Ethyl 2-methyl-3-pentenoate
The acute Daphnia EC50 for the ester Ethyl 2-methyl-3-pentenoate is predicted to be 8.0 mg/l based on the ECOSAR for esters using a measured log Kow of 3.1, a molecular weight of 142 and the equation: Log 48h-LC50 (mmol/L) = -0.6305 (log Kow) + 0.7049. The LC50 in ECOSAR is considered equivalent to the EC50 as defined in OECD TG 202.
Ethyl 2-methyl-3-pentenoate is in the applicability domain of the ECOSAR prediction because: a) the substance is an ester presenting the toxicity solely by its bioavailability; b) its log Kow is 3.1 (=< 5); c) its MW is 142 (< 1000); and; d) the toxicity predicted is below its water solubility of 613 mg/l.
The measured and predicted log Kows of the substance are 3.1 and 2.54. In view of the difference being > 0.5, the measured log Kow of 3.1 is used presenting a conservative value (a lower EC50).
In accordance with REACH Annex XI, the validity of the (Q)SAR is documented in a QMR for acute Daphnia toxicity on esters. The adequate and reliable documentation presented, further supports this prediction.
ECOSAR results of Ethyl 2‐methylpentanoate
ECOSAR v1.11 for esters using a calculated log Kow of 2.76, a molecular weight of 144.22 g/mol and the equation: Log 48h-LC50 (mmol/L) = -0.6305 (log Kow) + 0.7049. The LC50 in ECOSAR is considered equivalent to the EC50 as defined in OECD TG 202.
Ethyl 2‐methylpentanoate is in the applicability domain of the ECOSAR prediction because: a) the substance is an ester presenting the toxicity solely by its bioavailability; b) its calculated log Kow is 2.76 (≤ 5); c) its MW is 144.22 g/mol (< 1000 g/mol); and; d) the toxicity predicted is below its calculated water solubility of 356.67 mg/L. In accordance with REACH Annex XI, the validity of the (Q)SAR is documented in a QMR for acute Daphnia toxicity on esters (see attached report). The adequate and reliable documentation presented, further supports this prediction.
The fit in the applicability domain and the availability of an analogue in the training set results in limited uncertainty of the substance’s prediction. This shows that the prediction is reliable and a Klimisch 2 can be assigned. In accordance with REACH Annex XI, the validity of the (Q)SAR is documented in a QMR for acute Daphnia toxicity on esters (see attached report). The adequate and reliable documentation presented, further supports this prediction
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