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Diss Factsheets
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EC number: 614-295-4 | CAS number: 68131-40-8
- 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
Sediment toxicity
Administrative data
Link to relevant study record(s)
- Endpoint:
- sediment toxicity, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- 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:
- 1. CALCULATION: NOEC= 10e-0.803 log Kow+4.078 (Boeije et al 2006)
2. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
- Defined endpoint: NOEC for long term toxicity to aquatic invertebrates (based on 21-day studies for training set)
- Unambiguous algorithm: NOEC= 10e-0.803 log Kow+4.078
- Defined domain of applicability: the training set includes alcohol ethoxylate mixtures (C9-11AE6, C12-13AE6.5, C12-15AE6, C12-15AE9, C13-15AE5 or C14-15AE7) and with the range of Log Kow is 3.65 to 5.91 (calculation based on Leo and Hansh, 1979). The training set data is summarised by Belanger et al. (2006) and Belanger and Dorn (2004). This data assessment of the Klimisch scores has been presented in the HERA document (HERA, 2009).
- Appropriate measures of goodness-of-fit and robustness and predictivity: For each studied ecotoxicity endpoint, the SSE for each QSAR model
was minimized by optimizing the slope and intercept parameters. The Microsoft Excel Solver routine (GRG2 optimization) (Excel 2000, Microsoft Corp., 1999) was used for this numerical procedure. The resulting SSE could be compared with the SSE obtained with the existing QSARs, to compare the goodness of fit with the underlying data.
- Mechanistic interpretation: based on nonspecific membrane disruption being the mode of action for all AE toxicity, which means that toxicity is related to the hydrophobicity and thus the Kow of the specific AE homologue .
3. APPLICABILITY DOMAIN
- Descriptor domain: log kow of 5.3 (predicted using Episuite which is based on Leo and Hansch calculation). It is difficult to get accurate results for experimental determinations of Log Pow of surfactants.
- Structural and mechanistic domains: C11-15AE3
- Similarity with analogues in the training set: the log Kow is in the middle of the training set range and structurally it has bigger distribution of the alkyl chain length with a shorter ethoxylated chain.
- Other considerations (as appropriate):Although toxicity was found to decrease with increasing ethylene oxide chain length, secondary attachments of the alkyl group were reported to be less chronically toxic than linear primary AE.
4. ADEQUACY OF THE RESULT
The QSAR fitting results described in the Boeije et al (2006) paper show that the deviation of the QSAR predictions from the measurements is less than a factor of 3, which is similar to the normal experimental variability in different ecotoxicological studies (see the table comparing measured and predicted long term EC50 and NOEC outcomes for D.Magna exposed to AE). - Principles of method if other than guideline:
- - Principle of test: A new QSAR technique for complex substances, which interprets the mixture toxicity with regard to the‘‘ethoxymers’’ distribution (i.e., the individual AE components) rather than the average structure, was developed (Boeije et al, 2006) using the Log Kow.
- Parameters analysed / observed: NOEC for sediment toxicity based on Chronic Daphnia QSAR - Duration:
- 21 d
- Dose descriptor:
- NOEC
- Effect conc.:
- 0.2 mg/L
- Conc. based on:
- test mat.
- Basis for effect:
- reproduction
- Remarks on result:
- other: Daphnia Magna
- Remarks:
- QSAR calculation according to Boeije et al (2006)
- Validity criteria fulfilled:
- yes
- Conclusions:
- Based on the similar sensitivity of the sediment dwelling organisms compare with Daphnia magna, the sediment toxicity NOEC for softanol 30 was calculated as 0.20 mg/L using a 21-day chronic Daphnia QSAR for aquatic invertebrates developped by Boeije et al (2006).
Reference
Description of key information
The Daphnia Magna chronic endpoint for Softanol 30 (NOEC= 0.20 mg/L) is considered an appropriate chronic endpoint for Softanol 30 to sediment.
Key value for chemical safety assessment
- EC10, LC10 or NOEC for freshwater sediment:
- 28.1 mg/kg sediment dw
- EC10, LC10 or NOEC for marine water sediment:
- 2.81 mg/kg sediment dw
Additional information
To determine the PNEC sediment for softanol 30, the aquatic PNEC derived from the chronic Daphnia magna QSAR was used with the equilibrium partioning method. The Daphnia Magna chronic endpoint for Softanol 30 (NOEC= 0.20 mg/L) is considered an appropriate chronic endpoint for Softanol 30 to sediment.
Using the equilibrium partitioning method is acceptable for chemicals with a log Kow between 3 and 6.
It should also be noted that Softanol 30 is readily biodegradable and there is no direct in-put of Softanol 30 into sediment making the proposal above conservative.
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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