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EC number: - | 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
Endpoint summary
Administrative data
Description of key information
Additional information
No experimental data on abiotic and biotic degradation are available for the target substance C18 and C18 unsatd. TEA-Esterquat. However, reliable relevant data are available for the closely related source substance partially unsaturated TEA-Esterquat. A justification for read-across is given below.
Hydrolysis
The hydrolysis of partially unsaturated TEA-EQ as a function of pH was investigated in a study conducted according to OECD Guideline 111 and EU-method C.7. (Preliminary test; main test not conducted due to the pronounced biodegradability of the test substance).
At pH 4 and 50°C, the degradation of the main component of partially unsaturated TEA-EQ was less than 10% over a period of 120 h. The corresponding half-life at 25°C is therefore assumed to be above one year (default assumption acc. to guidelines). In contrast, at pH 7 and 9 and 50°C, more than 10% of the test item were hydrolysed within 120 h. Based on the results half-lives of 17 (pH 7) and 11.3 d (pH 9) were deduced from the reaction rate constants at 25°C. Di- and mono-ester were detected as degradation products
Biodegradation
Aerobic biodegradation
One test according to OECD Guideline 301 D (Closed Bottle Test) and four tests according to OECD Guideline 301 B (CO2 Evolution Test) proved the ready biodegradation of the source substance partially unsaturated TEA-Esterquat under aerobic.
One study according to ECETOC Anaerobic Biodegradation (Technical Report No. 28) proved the biodegradation of the source substance partially unsaturated TEA-Esterquat under anaerobic conditions.
Anaerobic biodegradation
The anaerobic biodegradation of partially unsaturated TEA-Esterquat was investigated in a study conducted according to ECETOC Anaerobic Biodegradation (Technical Report No. 28) over a period of 56 days and using anaerobic sludge bacteria from a municipal wastewater treatment plant as inoculum. The biodegradation rate was determined by measurement of dissolved inorganic carbon (DIC). This study is regarded as reliable with restriction and satisfies the guideline requirements for anaerobic biodegradation. The test material attained 76% degradation after 56 days and therefore can be considered as biodegradable under anaerobic conditions.
Bioaccumulation
No experimental data on bioaccumulation is available for the target substance C18 and C18 unsatd. TEA-Esterquat. However, data from the structurally related substance DODMAC (Dimethyldioctadecylammonium chloride) are provided. A justification for read-across is given in section “Bioaccumulation: aquatic / sediment”.
For the target substance C18 and C18 unsatd. TEA-Esterquat a BCF of the same order of magnitude and not higher than DODMAC (13 L/kg) is to be expected.
Adsorption / desorption
No data on adsorption/desorption is available for the target substance C18 and C18 unsatd. TEA-Esterquat. However, data from the structurally related substance DODMAC (Dimethyldioctadecylammonium chloride) are provided. A justification for read-across is given in section “Adsorption / desorption”.
DODMAC has a chemical structure similar to that of C18 and C18 unsatd. TEA-Esterquat. The chemical structure of the registration substance includes, in contrast to DODMAC, two polar ester moieties, which will lower adsorption potential. Thus, DODMAC could be considered as a worst case. No calculated Koc is provided for C18 and C18 unsatd. TEA-Esterquat, but instead the value obtained with the structurally closely related substance DODMAC (10,000 L/kg dw for both Kp(sed) and Kp(soil)) is used for chemical safety assessment.
JUSTIFICATION FOR READ-ACROSS
For details on substance identity and detailed toxicological profiles, please refer also to the general justification for read-across given at the beginning of the CSR and attached as pdf document to IUCLID section 13.
This read-across approach is justified based on structural similarities of the target substance C18 and C18 unsatd. TEA-Esterquat and the source substance partially unsaturated TEA-Esterquat. The target and source substance contain the same functional groups. Thus a common mode of action can be assumed. The only variation is a slight difference in carbon chain length distribution and the degree of unsaturation.
a. Structural similarity and functional groups
The target substance C18 and C18 unsatd. TEA-Esterquat is a UVCB substance manufactured from fatty acids (C18 and C18 unsatd) and triethanolamine. Subsequently the product is reacted with dimethyl sulphate for quaternisation.
The source substance partially unsaturated TEA-Esterquat is a UVCB substance manufactured from fatty acids (C16-18 (even numbered) and C18 unsatd.) and triethanolamine. Subsequently the product is reacted with dimethyl sulphate for quaternisation.
b. Differences
Differences in chemical and other intrinsic properties of the target and source substances could potentially arise from the following facts:
Degree of esterification: The lipophilic properties increase with the degree of esterification. As the distribution of mono-, di and tri-esters of the target and source substances is similar, no significant differences in properties are expected.
Chain-length distribution: Lipophilic properties of molecules also increase with increasing fatty acid chain-length. The amounts of chain-lengths lower than C16 and higher than C18 are comparably low in both the target and the source substance. In contrast to the target substance C18 and C18 unsatd. TEA-Esterquat, the source substance partially unsaturated TEA-Esterquat contains considerable amounts of C16. This may be considered as a worst case as the bioavailability of shorter chain lengths is in general higher.
Amount of unsaturated fatty ester moieties: The amount of unsaturated fatty acid moieties is slightly higher in the source substance partially unsaturated TEA-Esterquat compared to the target substance C18 and C18 unsatd. TEA-Esterquat. As fatty acids independently from their degree of unsaturation are generally considered to be non-toxic and biodegradable, a variability in the fatty acid moiety is not expected to have any influence on the toxicity and fate of the substances.
Comparison of aquatic toxicity data
Endpoints |
Target substance C18 and C18 unsatd. TEA-Esterquat |
Source substance Partially unsaturated TEA-Esterquat |
Hydrolysis |
No data, read-across |
key_RA_Hydrolysis: 157905-74-3_9.2.2.1_EBRC_2005_OECD 111
OECD TG 111, preliminary test
pH 4 Half-life 27.3 d Type (pseudo-)first order (= DT50)
Reliability: 1 (reliable without restriction), GLP |
Biodegradation |
No data, read-across |
WoE_RA_Biodegradation in water: screening tests: 157905-74-3_9.2.1.1_EBRC_2005_OECD_301D
ready biodegradability, aerobic Parameter: O2 consumption
Reliability: 1 (reliable without restriction), GLP |
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WoE_RA_Biodegradation in water: screening tests: 91995-81-2_Study_9-2-1-1_Biodeg301B_Elementis_XW-690_501181_2005
ready biodegradability, aerobic %Degr. 98.9 (28 d) Parameter: CO2 evolution
Reliability: 1 (reliable without restriction), GLP |
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WoE_RA_Biodegradation in water: screening tests: 91995-81-2_Study_9-2-1-1_Biodeg_KaoST000965_1997_OECD 301B
ready biodegradability, aerobic Parameter: CO2 evolution
Reliability: 1 (reliable without restriction), GLP |
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WoE_RA_Biodegradation in water: screening tests: 91995-81-2_Study_9-2-1-1_Biodeg301B_Clariant1_2005
ready biodegradability, aerobic %Degr. 75 (28 d) Parameter: CO2 evolution readily biodegradable
Reliability: 1 (reliable without restriction), GLP |
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WoE_RA_Biodegradation in water: screening tests: 93334-15-7_Study_9-2-1-1_Biodeg301B_Elementis_XW-490_1023F11511_2005
ready biodegradability, aerobic %Degr. 58 — 58.3 (14 d) %Degr. 71 (28 d) Parameter: CO2 evolution readily biodegradable
Reliability: 1 (reliable without restriction), GLP |
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WoE_RA_Biodegradation in water: screening tests: 91995-81-2_Study_9-2-1-1_Biodeg_KaoST000951_1991_ECETOC Technical Report No. 28_anaerobic
ready biodegradability, anaerobic Parameter: inorg. C analysis Parameter: gas evolution
Reliability: 2 (reliable with restriction), GLP |
No experimental data are available for the target substance C18 and C18 unsatd. TEA-Esterquat.
Biodegradation
One test according to OECD Guideline 301 D (Closed Bottle Test) and four tests according to OECD Guideline 301 B (CO2 Evolution Test) proved the ready biodegradation of the source substance partially unsaturated TEA-Esterquat under aerobic.
One study according to ECETOC Anaerobic Biodegradation (Technical Report No. 28) proved the biodegradation of the source substance partially unsaturated TEA-Esterquat under anaerobic conditions.
Hydrolysis
At pH 4 and 50°C, the degradation of the main component of partially unsaturated TEA-EQ was less than 10% over a period of 120 h. The corresponding half-life at 25°C is therefore assumed to be above one year (default assumption acc. to guidelines). In contrast, at pH 7 and 9 and 50°C, more than 10% of the test item were hydrolysed within 120 h. Based on the results half-lives of 17 (pH 7) and 11.3 d (pH 9) were deduced from the reaction rate constants at 25°C. Di- and mono-ester were detected as degradation products
Quality of the experimental data of the analogues:
The available data are adequate and sufficiently reliable to justify the read-across approach.
The biodegradation of the source substance partially unsaturated TEA-Esterquat under aerobic conditions was assessed in reliable (RL1) and GLP-compliant studies according to OECD TG 301 D (Closed Bottle Test) and OECD TG 301 B (CO2 Evolution Test). The biodegradation of partially unsaturated TEA-Esterquat under anaerobic conditions was tested according to ECETOC Technical Report No. 28 (RL2, GLP).
The hydrolysis if the source substance partially unsaturated TEA-Esterquat was assessed in a preliminary test according to OECD TG 111 (RL1, GLP).
The test materials used in the respective studies represent the source substance as described in the hypothesis in terms of substance identity and minor constituents. Overall, the study results are adequate for the purpose of classification and labelling and risk assessment.
Conclusion
Based on structural similarities of the target and source substance as presented above and in more detail in the general justification for read across, it can be concluded that the available data from the source substance partially unsaturated TEA-Esterquat are also valid for the target substance C18 and C18 unsatd. TEA-Esterquat.
The target substance is considered to be readily biodegradable under aerobic and anaerobic conditions.
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