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EC number: 947-899-4 | 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

Long-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- long-term toxicity to aquatic invertebrates
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Remarks:
- Summary of available data used for the endpoint assessment of the target substance
- Adequacy of study:
- key study
- Justification for type of information:
- Please refer to the Analogue Justification provided in IUCLID section 13.
- Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Duration:
- 21 d
- Dose descriptor:
- NOELR
- Effect conc.:
- >= 1 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Remarks:
- WAF
- Basis for effect:
- immobilisation
- Remarks on result:
- other: source, RA-A, CAS 85711-45-1, Oleon, 2013, D. magna reproduction 21 d, RL1
- Duration:
- 21 d
- Dose descriptor:
- NOELR
- Effect conc.:
- >= 1 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Remarks:
- WAF
- Basis for effect:
- other: mean age of first brood
- Remarks on result:
- other: key, source, RA-A, CAS 85711-45-1, Oleon, 2013, D. magna reproduction 21 d, RL1
- Duration:
- 21 d
- Dose descriptor:
- NOELR
- Effect conc.:
- >= 1 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Remarks:
- WAF
- Basis for effect:
- reproduction
- Remarks on result:
- other: key, source, RA-A, CAS 85711-45-1, Oleon, 2013, D. magna reproduction 21 d, RL1
- Duration:
- 21 d
- Dose descriptor:
- NOELR
- Effect conc.:
- >= 135 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Remarks:
- WAF
- Basis for effect:
- reproduction
- Remarks on result:
- other: source, RA-A, CAS 71010-76-9, Exxon, 2012, D. magna 21 d, RL1
Reference
Description of key information
No effects up to the limit of water solubility; read-across.
Key value for chemical safety assessment
Additional information
No study investigating the long-term toxicity of fatty acids C18-C22 (even numbered), tetraesters with pentaerythritol to aquatic invertebrates is available. Therefore, in accordance to Regulation (EC) No. 1907/2006 Annex XI, 1.5 a read-across to the structurally related source substances fatty acids, C16-18 and C18-unsaturated, esters with pentaerythritol (CAS 85711-45-1) and decanoic acid, mixed esters with heptanoic acid, octanoic acid, pentaerythritol and valeric acid (CAS 71010-76-9) is applied.
Based on the high degree of similarity between the structural and physico-chemical properties of the target and source substances, the source substances are considered as suitable representative for the evaluation of the short-term toxicity of the target substance to aquatic invertebrates. The read-across approach is justified in detail within the analogue justification in IUCLID section 13.
A study investigating the long-term toxicity of fatty acids, C16-18 and C18-unsaturated, esters with pentaerythritol (CAS 85711-45-1) to aquatic invertebrates is available. The study was conducted under semi-static conditions according to OECD 211 using Daphnia magna as test organism. A water-accommodated fraction (WAF) was prepared with a loading rate of 1 mg/L (nominal). No significant effect on reproduction, mean age of first brood and immobilisation was observed in the treatment throughout the test period of 21 d. A difference between the mean length of the control and treatment group was < 10% (i.e. 6.04%) and is therefore be considered as biologically not relevant. Hence, the 21 d-NOELR is determined to be ≥ 1 mg/L on the basis of the nominal test concentration. A second study investigated the long-term toxicity of decanoic acid, mixed esters with heptanoic acid, octanoic acid, pentaerythritol and valeric acid (CAS 71010-76-9) to aquatic invertebrates. The study was conducted under semi-static conditions according to OECD 211 using Daphnia magna as test organism. A loading rate of 135 mg/L (nominal) was applied in the limit test. The water-accommodated fraction (WAF) solution was prepared by adding the appropriate amount of test substance with subsequent stirring and sampling of the aqueous portions (WAFs) through the outlet at the bottom of the vessels. No significant effect on reproduction was observed in the treatment throughout the test period of 21 d. Hence, the 21 d NOELR is determined to be >= 135 mg/L on the basis of the nominal test concentration.
In addition, aquatic toxicity of the substance is unlikely to occur due to the low bioavailability of the substance in water. Due to the high potential for adsorption, the substance can be effectively removed in conventional sewage treatment plants (STPs) by sorption to biomass. The low water solubility (< 0.518 mg/L at 20 °C, OECD 105) and high estimated log Kow (> 10, QSAR, VEGA 1.1.3) indicate that the substance is highly lipophilic. If released into the aquatic environment, the substance undergoes extensive sorption on organic matter. Thus, the bioavailability in the water column is reduced rapidly. The relevant route of uptake of the substance in aquatic organisms is expected to be predominantly by ingestion of particle bound substance. However, as the substance has a high molecular weight of 1370.31 – 1426.42 g/mol, it is unlikely that it is readily absorbed, due to the steric hindrance of crossing biological membranes. Following the ‘rule of 5’ (Lipinski et al., 2001), developed to identify drug candidates with poor oral absorption based on criteria regarding partitioning (log Kow > 5) and molecular weight (> 500 g/mol), the substance is considered to be poorly absorbed after oral uptake (Hsieh & Perkins, 1976).
Based on the available results from structurally related source substances (in accordance to Regulation (EC) No 1907/2006 Annex XI, 1.5) which are characterized by a similar ecotoxicological profile and comparable structure, a low bioavailability of the substance in water and a steric hindrance of crossing biological membranes, it can be concluded that fatty acids C18-C22 (even numbered), tetraesters with pentaerythritol will not exhibit long-term effects to invertebrates up to the limit of water solubility.
References
Hsieh, A. and Perkins, E. G. (1976). Nutrition and Metabolic Studies of Methyl Ester of Dimer Fatty Acids in the Rat. Lipids, 11(10):763-768.
Lipinski et al. (2001). Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv. Drug Del. Rev. 46: 3-26.
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