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EC number: 947-899-4
CAS number: -
No effects up to the limit of water solubility; read-across.
No study investigating the short-term toxicity of fatty acids
C18-C22 (even numbered), tetraesters with pentaerythritol 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 substance fatty acids, C16-18 and C18-unsatd., tetraesters with
pentaerythritol (CAS 68604-44-4) 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 to be suitable representatives for the
evaluation of the short-term toxicity of the target substance to fish.
The read-across approach is justified in detail within the analogue
justification in IUCLID section 13.
The study investigated the short-term toxicity to aquatic
invertebrates of fatty acids, C16-18 and C18-unsatd., tetraesters with
pentaerythritol (CAS 68604-44-4). The study was performed under static
conditions according to EU Method C.2 using Daphnia magna as test
organism. Testing was done with the water-accommodated fraction (WAF).
The WAF was prepared by adding the appropriate amount of test substance
with subsequent stirring and filtering. A nominal test concentration of
100 mg/L was tested, corresponding to < 10 mg/L (detection limit). No
immobilisation was observed in the treatment and the control throughout
the test period of 48 h. Hence, the 48 h-EL50 is determined to be > 100
mg/L based on 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 &
Based on the available results from a structurally related source
substance (in accordance to Regulation (EC) No 1907/2006 Annex XI, 1.5)
which is 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 short-term effects to aquatic
invertebrates up to the limit of water solubility.
Hsieh, A. and Perkins, E. G. (1976). Nutrition and Metabolic
Studies of Methyl Ester of Dimer Fatty Acids in the Rat. Lipids,
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.
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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