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EC number: 947-936-4 | 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
Short-term toxicity to fish
Administrative data
Link to relevant study record(s)
- Endpoint:
- fish embryo acute toxicity (FET)
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2017-08-08 to 2018-01-19
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 236 (Fish embryo acute toxicity (FET) test)
- Version / remarks:
- adopted 26 July 2013
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Analytical monitoring:
- yes
- Details on sampling:
- Duplicate samples were taken from all test media and the control at the start and end of all four test medium renewal periods. At the start of the test medium renewal periods, samples were taken from the test medium preparation vessels. At the end the of the test medium renewal periods the contents of all wells of the corresponding treatment were combined.
All samples were stored frozen (at about -20 °C) immediately after sampling. Based on pre-experiments the analytically analysed diester present in the the test item was found to be stable in the test water under these storage conditions. - Vehicle:
- no
- Details on test solutions:
- At the start of each renewal period, the test medium with the highest test concentration of 100 mg/Lwas freshly prepared by weighing 100 mg (effective range: 100.0-100.3 mg) of the test item into 1000 mL of test water.
- Test organisms (species):
- Danio rerio (previous name: Brachydanio rerio)
- Details on test organisms:
- TEST ORGANISM
- Common name: zebrafish
- Strain: Danio rerio
- Source: IME, Fraunhofer Institute, 57392 Schmallenberg, Germany
Glass dishes covered with a mesh were placed on the bottom of the aquarium one day prior to test start for collecting the newly fertilized eggs for the test. The mesh separates fertilized eggs (which sink to the bottom into the glass dishes) from the parent fish. Spawning starts in the morning on Day 0 after turning on the light. The eggs were exposed to the test media within 180 minutes post fertilisation.
The overall fertilisation rate of all eggs collected was 85 % - Test type:
- semi-static
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 96 h
- Hardness:
- 125 as CaCO3 mg/L
- Test temperature:
- 26 -27 °C
- pH:
- 7.0 to 7.6
- Dissolved oxygen:
- 7.7 to 8.8 mg/L
The minimum value of 7.7 mg/L corresponded to an oxygen saturation of 95%. - Conductivity:
- 350 to 370 µS/cm2
- Nominal and measured concentrations:
- 6.3, 12.5, 25, 50 and 100 mg/L nominal
- Details on test conditions:
- TEST SYSTEM
- Test vessel: disposable polystyrene multiwell test plates, with 3 mL filling capacity
- Type (delete if not applicable): closed - polystyrene top
- Renewal rate of test solution (frequency/flow rate): A semi-static test design with a daily test medium renewal
- No. of organisms per vessel: 20 viable, pre-selected eggs
- No. of vessels per concentration (replicates): one
- No. of vessels per control (replicates): one
- No. of vessels per vehicle control (replicates): one
TEST MEDIUM / WATER PARAMETERS
Reconstituted test water was used in the study. It consisted of analytical grade salts dissolved in purified water.
The ratio of Ca:Mg and Na:K was 4:1 and 10:1, respectively, based on molarity. The test water was aerated prior to the preparation of the test medium until oxygen saturation was reached.
OTHER TEST CONDITIONS
No adjustment of pH.
A 16 hour light to 8-hour dark photoperiod, with a 30-minute transition period was used. The light intensity during the light period was 15 to 17 µE s-1 m-2. - Reference substance (positive control):
- yes
- Remarks:
- 3,4-dichloroaniline
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- > 65 mg/L
- Nominal / measured:
- meas. (geom. mean)
- Conc. based on:
- test mat.
- Basis for effect:
- other: Hatching Rate, Mortality of Embryos/Larvae, Coagulated embryos, lack of somite formation, non-detachment of the tail, lack of heart beat
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- > 100 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- act. ingr.
- Basis for effect:
- other: Hatching Rate, Mortality of Embryos/Larvae, Coagulated embryos, lack of somite formation, non-detachment of the tail, lack of heart beat
- Results with reference substance (positive control):
- In the 3,4-dichloroaniline treatment the mortality rate was 70 % fulfilling the requirement of the test guideline. None of the surviving larvae had hatched until the end of the test at Day 4.
- Validity criteria fulfilled:
- yes
- Conclusions:
- Results from the different test parameters assessed, the test item Fatty acids, C18 unsatd., mono and diester with triethanolamine , di-Me sulfate-quaternized had no toxic effects on embryos and larvae of zebrafish (Danio rerio) in a 96-hour semi-static test up to and including the test concentration of nominal 100 mg/L.
- Executive summary:
In a 96-h acute toxicity study according to OECD Guideline 236, adopted July 26, 2013, embryonic stages of zebrafish (Danio rerio) were exposed Fatty acids, C18 unsatd., mono and diester with triethanolamine , di-Me sulfate-quaternized at nominal concentrations of 6.3, 12.5, 25, 50 and 100 mg/L nominal under semi-static conditions.
The test embryos were observed at test start and after approximately 24, 48, 72 and 96 hours test duration for hatching and apical observations (coagulation, somite formation, detachment of tail bud, heart beat and hatching.
Results from the different test parameters assessed, indicate that the test item Fatty acids, C18 unsatd., mono and diester with triethanolamine , di-Me sulfate-quaternized had no toxic effects on embryos and larvae of zebrafish (Danio rerio) in a 96-hour semi-static test up to and including the test concentration of nominal 100 mg/L, corresponding to a mean measured concentration of 65 mg/L when based on the three analytically analysed main components (diester, monoester and N-Methyl Triethanolammmonium) of the test item.
- Endpoint:
- short-term toxicity to fish
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Justification for type of information:
- REPORTING FORMAT FOR THE ANALOGUE APPROACH
1. HYPOTHESIS FOR THE ANALOGUE APPROACH
The hypothesis for this analogue approach is that target and source substances, being different compounds, have similar (eco) toxicological properties based on structural similarity with common functional groups; a quaternized ethanolamine moiety, one to three ester groups with a typical UVCB distribution with long-chain fatty acids of natural origin.
Furthermore identical precursors (triethanolamine, long-chain fatty acids, dimethyl sulphate) are used for manufacturing. Therefore common breakdown products via physical and biological processes, which result in structurally similar chemicals, are evident.
For further information refer to general justification for read-across attached to chapter 13 of this IUCLID file.
2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
See general justification for read-across attached to chapter 13 of this IUCLID file.
3. ANALOGUE APPROACH JUSTIFICATION
See general justification for read-across attached to chapter 13 of this IUCLID file.
4. DATA MATRIX
See general 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
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 1.91 mg/L
- Nominal / measured:
- meas. (geom. mean)
- Conc. based on:
- test mat.
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: Source substance:
- Remarks:
- partially unsaturated TEA-Esterquat
- Duration:
- 72 h
- Dose descriptor:
- LC50
- Effect conc.:
- 2.1 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- act. ingr.
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: Source substance
- Remarks:
- partially unsaturated TEA-Esterquat
- Duration:
- 72 h
- Dose descriptor:
- LC50
- Effect conc.:
- 11.23 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- act. ingr.
- Basis for effect:
- other: absence of respiratory movement and response to physical movement
- Remarks on result:
- other: Source substance
- Remarks:
- partially unsaturated TEA-Esterquat
- Duration:
- 72 h
- Dose descriptor:
- LC50
- Effect conc.:
- 5.1 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- mortality (fish)
- Remarks on result:
- other: Source substance
- Remarks:
- partially unsaturated TEA-Esterquat
- Conclusions:
- The lowest 96 h LC50 in fish of 1.91 mg/L obtained in rainbow trouts (Oncorhynchus mykiss) from a study with the partially unsaturated TEA-Esterquat will be used for chemical safety assessment.
Referenceopen allclose all
Description of key information
For Fatty acids, C18 unsatd., mono and diester with triethanolamine , di-Me sulfate-quaternized a 96 h LC50 > 100 mg a.i/L, based on nominal concentration was obtained froma FET study according to OECD TG 236 in Danio rerio.
The lowest 96 h LC50 of 1.91 mg a.i/L, based on mean measured concentration form from a study with the partially unsaturated TEA-Esterquat is used for chemical safety assessment.
Key value for chemical safety assessment
Fresh water fish
Fresh water fish
- Dose descriptor:
- LC50
- Effect concentration:
- 1.91 mg/L
Additional information
For the assessment of the acute toxicity to fish, a fish embryo test conducted with the target substance Fatty acids, C18 unsatd., mono and diester with triethanolamine , di-Me sulfate-quaternized is available. Further reliable relevant data are available for the closely related source substance partially unsaturated TEA-Esterquat and oleic acid-based TEA-Esterquat.
In a 96-h acute toxicity study according to OECD Guideline 236, adopted July 26, 2013, embryonic stages of zebrafish (Danio rerio) were exposed Fatty acids, C18 unsatd., mono and diester with triethanolamine , di-Me sulfate-quaternized at nominal concentrations of 6.3, 12.5, 25, 50 and 100 mg/L nominal under semi-static conditions.
The test embryos were observed at test start and after approximately 24, 48, 72 and 96 hours test duration for hatching and apical observations (coagulation, somite formation, detachment of tail bud, heart beat and hatching.
Results from the different test parameters assessed, the test item Fatty acids, C18 unsatd., mono and diester with triethanolamine , di-Me sulfate-quaternized had no toxic effects on embryos and larvae of zebrafish (Danio rerio) in a 96-hour semi-static test up to and including the test concentration of nominal 100 mg/L.
In a 96-h acute toxicity study conducted according to OECD Guideline 203 (Fish, Acute Toxicity Test), rainbow trouts (Oncorhynchus mykiss) were exposed to partially unsaturated TEA-Esterquat (CAS No. 157905-74-3) at nominal concentrations of 0 (control), 1.0, 1.6, 2.56, 4.1, 6.55, 10.55 mg/L under semi-static conditions. The mean measured concentration was determined to be 59 % of nominal concentrations. The 96-h LC50 was 1.91 mg/L (based on mean measured concentration). Sublethal effects as difficulties with maintainance of balance and unusual behaviour (reduced activity and or orientation to bottom or surface of the test vessels) were observed within the first three hours in the highest test concentration.
In a further study performed according to OECD Guideline 203 (Fish, Acute Toxicity Test) under semi-static conditions the LC50 (96 h) of partially unsaturated TEA-Esterquat was determined to be 2.1 mg/L for Danio rerio. The effect concentration (96h-LC50 = 2.6 mg/L) was corrected because the analytical recovery (HPLC) of test substance was below 80% of nominal concentration.
Partially unsaturated TEA-Esterquat was classified as toxic to Danio rerio by the study authors. However, according to CLP (EU-GHS), Regulation (EC) No 1272/2008 the criteria for acute aquatic toxicity of fish (96h LC50) is </= 1 mg/L.
There are two further reliable studies available for partially unsaturated TEA-Esterquat performed according to OECD Guideline 203 (Fish, Acute Toxicity Test) under semi-static conditions and a study according to OECD Guideline 204 (Fish, Prolonged Toxicity Test: 14-day Study) under flow-through conditions, but all performed without analytical control. The LC50 (96 h) effect concentrations were 7.48 mg/L (test mat., nominal, based on a.i. > 80 % the 96h LC50 was > 5.98 mg a.i./L) for Danio rerio and 11.23 mg a.i./L and 14.45 mg a.i./L for Oncorhynchus mykiss each, respectively. The nominal effect concentrations were corrected for the content of active ingredient.
One study is available for Leuciscus idus (Golden orfe). In this study the 24 to 96 h LC 50 of TEA-Esterquat partially unsaturated was 5.1 mg test mat./L (nominal).
In a flow through test according to OECD Guideline 204 (Fish, Prolonged Toxicity Test: 14-day Study, 1984) the 96 h and 14 d LC50 of partially unsaturated TEA-Esterquat were 4.9 mg/L each (nominal) for Danio rerio.
In a 96-h acute toxicity study,rainbow trouts (Oncorhynchus mykiss)were exposed to oleic acid-based TEA-Esterquat at nominal concentrations of 1.0, 1.8, 3.2, 5.6, 10 mg/L under semi-static conditions. The 96-h LC50 was 4.8 mg/L with 95% CL= 4.1-5.6 mg/L. The NOEC value, based on mortality, was 3.2 mg/L.
The lowest 96 h LC50 in fish of 1.91 mg/L obtained in rainbow trouts (Oncorhynchus mykiss) was used for chemical safety assessment.
Justification for read-across
The read-across is built on the hypothesis that target and source substances, being different compounds, have similar(eco) toxicologicalproperties based on structural similaritywith common functional groups. A detailed justification for read-across is attached to chapter 13 of the IUCLID file.
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