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EC number: 931-209-3 | CAS number: 1337540-53-0
- 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
Toxicity to aquatic algae and cyanobacteria
Administrative data
Link to relevant study record(s)
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- weight of evidence
- Justification for type of information:
- REPORTING FORMAT FOR THE ANALOGUE APPROACH
1. HYPOTHESIS FOR THE ANALOGUE APPROACH
This read-across is based on the hypothesis that source and target substances have similar (eco)toxicological properties because
• they share structural similarities with common functional groups: One quaternised ethanolamine moiety, one to three, mainly two ester groups with a typical UVCB distribution with long-chain fatty acids of natural origin. The molecular structure is almost identical.
• they are manufactured from similar resp. identical precursors (triethanolamine, long-chain fatty acids, dimethyl sulphate) under similar conditions. Therefore common breakdown products via physical and biological processes, which result in structurally similar chemicals are evident
• A constant pattern in the changing of the potency of the properties across the TEA-Esterquats by chain-length and the grade of esterification is not observed, because the fatty acid chain-length distribution is too narrow and similar and the distribution of mono-, di-, and tri-esters is identical. Some variation caused by variation in C=C double bonds may occur and will be discussed at the relevant endpoint.
2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
See justification for read-across attached to chapter 13 of this IUCLID file.
3. ANALOGUE APPROACH JUSTIFICATION
See justification for read-across attached to chapter 13 of this IUCLID file.
4. DATA MATRIX
See justification for read-across attached to chapter 13 of this IUCLID file. - Reason / purpose for cross-reference:
- read-across: supporting information
- Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Duration:
- 72 h
- Dose descriptor:
- EC50
- Effect conc.:
- 2.14 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- growth rate
- Remarks on result:
- other: lowest effect concentration of all valid tests
- Duration:
- 72 h
- Dose descriptor:
- EC10
- Effect conc.:
- 1.48 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- growth rate
- Remarks on result:
- other: geometric mean of the studies
- Conclusions:
- Acute value 72 h ErC50:
The lowest effect concentration of all valid tests is used. The test was made with fully saturated TEA-Esterquat which inhibited significantly the increase of biomass of the alga Scenedesmus subspicatus in a study conducted according to OECD Guideline 201 (Alga, Growth Inhibition Test). The 72h-ErC50 was 2.14 mg/L.
Long-term value 72 h EC10:
As long-term effect value, instead of the NOEC, the EC10 is used. The current OECD guideline 201 as well as ECHA Guidance R.10, 2008 (Table R.10-1) as well as ECHA CLP Guidance, Nov. 2012 (4.1.3.1.1) recommend the use of the ErC10 instead of NOEC for classification as well as starting point for PNEC derivation.
For the long-term effect value 72 h ErC10, relevant studies are considered in a Weight of Evidence (WoE) approach: For the endpoint “Toxicity to aquatic algae and cyanobacteria”, there are five valid and comparable studies for the same taxonomic group available. For each study there is a full endpoint study record (EPR) in the dossier.
The 72 h ErC10 values for these studies are:
(a): 0.68 mg/L
(b): 1.53 mg/L
(c): 5.09 mg/L
(d): 1.26 mg/L
(e): 1.26 mg/L
The assessment of these comparable studies showed no study inherent reason for differences in results. All five studies were conducted following guidance OECD Guideline 201. All five EPR consider for effect calculation a concentration reduction factor to map the decrease of nominal concentration during the test duration. The values for the 72 h ErC10 range from 0.68 - 5.09 mg/L. For the WoE approach, the geometric mean of the five 72 h ErC10 values was calculated. According to this WoE approach, for this endpoint the 72 h ErC10 = 1.48 mg/L
Reference
Description of key information
72 h ErC50 = 2.14 mg/L (OECD TG 201, Scenedesmus subspicatus); GLP, RL1; read-across: partially unsaturated TEA-Esterquat
72 h ErC10 = 1.48 mg/L (WoE, geometric mean of five 72 h ErC10 values) (OECD TG 201); GLP, RL1-2; read-across: partially unsaturated TEA-Esterquat
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 2.14 mg/L
- EC10 or NOEC for freshwater algae:
- 1.48 mg/L
Additional information
Several valid algal toxicity studies are available for fully saturated TEA-Esterquat as well as the structurally related source substances partially unsaturated TEA-Esterquat. A justification for read-across is attached to Iuclid section 13.
Summary
Acute value 72 h ErC50:
The lowest effect concentration of all valid tests is used. The test was made with fully saturated TEA-Esterquat which inhibited significantly the increase of biomass of the alga Scenedesmus subspicatus in a study conducted according to OECD Guideline 201 (Alga, Growth Inhibition Test). The 72h-ErC50 was 2.14 mg/L.
Long-term value 72 h EC10:
As long-term effect value, instead of the NOEC, the EC10 is used. The current OECD guideline 201 as well as ECHA Guidance R.10, 2008 (Table R.10-1) as well as ECHA CLP Guidance, Nov. 2012 (4.1.3.1.1) recommend the use of the ErC10 instead of NOEC for classification as well as starting point for PNEC derivation.
For the long-term effect value 72 h ErC10, relevant studies are considered in a Weight of Evidence (WoE) approach: For the endpoint “Toxicity to aquatic algae and cyanobacteria”, there are five valid and comparable studies for the same taxonomic group available. For each study there is a full endpoint study record (EPR) in the dossier.
The 72 h ErC10 values for these studies are:
(a): 0.68 mg/L
(b): 1.53 mg/L
(c): 5.09 mg/L
(d): 1.26 mg/L
(e): 1.26 mg/L
The assessment of these comparable studies showed no study inherent reason for differences in results. All five studies were conducted following guidance OECD Guideline 201. All five EPR consider for effect calculation a concentration reduction factor to map the decrease of nominal concentration during the test duration. The values for the 72 h ErC10 range from 0.68 - 5.09 mg/L. For the WoE approach, the geometric mean of the five 72 h ErC10 values was calculated. According to this WoE approach, for this endpoint the 72 h ErC10 = 1.48 mg/L.
Studies in detail
(a)
In a 72 hour acute toxicity study, the cultures of the alga Scenedesmus subspicatus were exposed to the test substance fully saturated TEA-Esterquat at nominal concentrations of 0.25, 0.55, 1.21, 2.662, 5.856 mg test mat./L under static conditions in accordance with the OECD Guideline 201 (Alga, Growth Inhibition Test).
After 72 h the estimated EbC10 and EbC50 values were 0.59 and 1.28 mg/L, respectively. The NOEC for biomass was 0.65 mg/L.
The estimated ErC10 and ErC50 values were 0.95 and 2.14 mg/l, respectively. The NOEC for growth rate was 0.65 mg/L.
The results of the HPLC analysis by Henkel KGaA show a decrease of the test substance concentrations during the test, so that the above stated values change based on the actual concentrations of the test substance.
For evaluation all analytical results for the monoester and diester (0 h - to 72 h) for the nominal concentrations of 1.21; 2.662 and 5.856 mg/L were added and the mean value was calculated. The resulting factor of 0.535 was used for multiplication of the already calculated EC- and NOEC-values:
• After 72 h the re-calculated EbC10 and EbC50 values were 0.59 and 1.28 mg/L, respectively. The NOEC for biomass was 0.65 mg/L.
• The re-calculated ErC10and ErC50 values were 0.96 and 2.14 mg/L, respectively. The NOEC for growth rate was 0.65 mg/L.
RE-EVALUATION OF STUDY DATA:
The study data were re-evaluated. All analytical results for the monoester and diester (0 h - to 72 h) were used to calculate the concentration reduction factor as geometric mean resulting in 0.3793.
The recalculated values:
72h-ErC10 = 0.68 mg/L
72h-ErC50 = 1.52 mg/L.
(b)
In a 72 hour toxicity study, the cultures of Desmodesmus subspicatus were exposed to partially unsaturated TEA-Esterquat at nominal concentrations of 0, 1.0; 3.16; 10.0; 31.6; 100 mg/L under static conditions in accordance with the OECD Guideline 201. The EC10 and EC50 values based on growth rate were 2.61 and 6.46 mg/L, respectively.
RE-EVALUATION OF STUDY DATA:
using a calculated concentration reduction factor (0.5844, geometric mean of measured concentration reduction) the following results were determined:
72h-ErC50 3.78 mg/L
72h-ErC10 1.53 mg/L
(c)
In a 72 hour toxicity study conducted according to OECD Guideline 201 (Alga, Growth Inhibition Test) and EU Method C.3 (Algal Inhibition test), the cultures of the green algae Desmodesmus subspicatus were exposed to partially unsaturated TEA-Esterquat (CAS No. 157905-74-3) at nominal concentrations of 0, 1.56, 3.13, 6.25, 12.5, 25, 50 and 100 mg/L under static conditions. The average mean (geometric mean) concentration during the test was about 37 % (19,75 %) of the nominal concentrations. The 72 h NOEC and 72 h EC50 values based on growth rate were 9.25 and 22.3 mg/L (mean measured concentrations), respectively.
After study finalisation, ErC10 was recalculated from raw data with probit analysis after study report finalisation.
The 72-h ErC10 was 25.8 mg/L (nominal) resp. 5.09 mg/L (geometric mean measured concentration).
(d)
In this study with partially unsaturated TEA-Esterquat the ErC50 (24 h, growth rate) was 8.8 mg/L (nominal). The reliability was assigned 2 because no analytical control was performed.
ErC50 (24 h) = 8.8 mg/L
NOEC = 1.125 mg/L
72 h ErC10 = 3.3 mg/L test mat. nominal (recalculated from raw data)
72 h ErC10 = 1.26 mg/L test mat. (calculated from nominal with concentration reduction factor 38.71%)
(e)
In this study with partially unsaturated TEA-Esterquat the ErC50 (24 h, growth rate) is 9.0 mg/L (nominal). The reliability was assigned 2 because no analytical control was performed.
ErC50 (24 h) = 9.0 mg/L
NOEC = 1.125 mg/L
72 h ErC10 = 2.72 mg/L test mat. nominal (recalculated from raw data)
72 h ErC10 = 1.05 mg/L test mat. (calculated from nominal with concentration reduction factor 38.71%)
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