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EC number: 931-216-1 | CAS number: 1335202-95-3
- 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
- Solubility in water without pH adjustment (distilled water being in equilibrium with atmospheric carbon dioxide) at 10, 20, and 30°C: 2171 (pH 3.73, 10°C), 2244 (pH 3.86, 20°C), and 2359 mg/L (pH 3.83, 30°C). The water solubility was not found to be temperature dependent.
- Solubility in buffered water at pH 4-9 and 20°C: 5.30 (pH 4.05), 3.39 (pH 7.08), and 19.4 mg/L (pH 9.11; at 20°C each).
Experimental data on physicochemical properties are mainly available for the structurally related source substance partially unsaturated TEA-Esterquat. The target and source substance vary only marginally in the fatty acid chain-length distribution, and the distribution of mono-, di-, and tri-esters is identical. Therefore, their physicochemical properties are assumed to be within the typical variation of measured results. Differences are expected according to the amount of C=C double bonds. This is expressed by the fact that partially unsaturated TEA-Esterquat is solid, while oleic acid-based TEA-Esterquat is a liquid at room temperature. A justification for read-across is attached to Iuclid section 13.
Physical state
Oleic acid-based TEA-Esterquat is a highly viscous liquid at 20°C and 1013 hPa.
Melting point
Based on the information for partially unsaturated TEA-Esterquat and the UVBC composition of substance of many similar substances, Oleic acid-based TEA-Esterquat is also expected not to have a specific melting point, but rather a solidifying range lower than room temperature (< 20°C). The melting range is reported to be 4 - 10°C.
Boiling point
The boiling point of the source substance partially unsaturated TEA-Esterquat was investigated in a study conducted according to OECD Guideline 103 and EU-Method A.2. (differential scanning calorimetry) and in addition via the capillary method. Based on the results obtained it can be concluded that the test item decomposes at temperatures >=260°C and therefore a boiling point cannot be determined at atmospheric pressure. Due to very similar composition, a similar behaviour is also expected for the target substance oleic acid-based TEA-Esterquat.
Density
The density and the relative density of the source substance partially unsaturated TEA-Esterquat were determined using OECD Guideline 109 and EU-Method A.3 (air comparison pycnometer method). The density of partially unsaturated TEA-Esterquat was determined to be 1.059 g/cm³ at 20°C and the relative density (20/4) was determined to be 1.059 using a density of water at 4°C (0.999972 g/cm³). Due to very similar composition, this result applies also to the target substance oleic acid-based TEA-Esterquat.
Particle size distribution
According to the REACH Regulation, Annex VII, column 2 the study does not need to be conducted if the substance is marketed or used in a non solid or granular form. The test item is a highly viscous liquid at ambient temperature.
Vapour pressure
The vapour pressure of partially unsaturated TEA-Esterquat was determined via vapour pressure balance (effusion method; OECD guideline 104 and EU-Method A.4) in the temperature range of 16 to 138°C. Two measurements were carried out (test item was degassed under vacuum; first run and without degassing; second run). No signal was observed up to a temperature of 39°C. Above 43°C, a vapour pressure could be measured. Based on the experimentally derived results and using the Antoine equation the vapour pressure at 20, 25, and 50°C were calculated. The test item shows a very low vapour pressure at ambient temperature (20°C: 4.4E-06 hPa, 4.4E-04 Pa; 25°C: 6.7E-06 hPa, 6.7E-04 Pa).
This very low vapour pressure applies also to the target substance oleic acid-based TEA-Esterquat due to practically identical structure. In addition, the substances are salts with ionic structure of one long-chained organic ammonium cation and the anionic counter ion. For these substances, a vapour pressure of almost zero is expected.
Log Kow
The n-Octanol/water partitioning coefficient (log Kow) of partially unsaturated TEA-Esterquat was calculated from the individual solubilities in 1-octanol and water at 20 °C, respectively. The log Kow is reported to be 1.9 at 20°C.
However, due to the surface-active properties of the test substance, the 'real' water solubility is overestimated. Therefore, the result should be treated with care.
Due to uncertainties with the measured values for surface active substances, a calculation of the n-octanol/water-partition coefficient (log Kow) was performed. Kow values fort the most lipophilic Mono-, Di- and Triester species (C18 chain-length, saturated) were calculated separately, using the chemical properties prediction software ACD/Labs v12 of company Advanced Chemistry Development, Inc. and experimental data of [Me-14C] MDEA Esterquat (NOTOX 489708). For experimental data input to ACD/Labs, adsorption coefficients of [Me-14C] MDEA Esterquat were used for calculation of the log Kow according to the Lyman-method. Individual log Kow values were -2.95 (Monoester), 5.04 (Diester) and 13.93 (Triester). Outputs were then weighted to calculate a mean log Kow. The calculated log Kow of TEA-EQ was 4.725. This value was used as a reasonable worst case for the assessment.
Water solubility
The water solubility of the source substance partially unsaturated TEA-Esterquat was investigated in a study conducted according to OECD Guideline 105 and EU-Method A.6 and using HPLC/MS/MS for quantification. HPLC/MS/MS proved to be a suitable analytical tool. Based on the results of the preliminary test, the flask method was used for the determination of the water solubility. In the main test, on the one hand the test item was dissolved in distilled water and the water solubility was measured at 10, 20, and 30°C without adjustment of the pH and on the other hand the water solubility of the test item was determined in buffered systems (pH 4, 7, and 9) at 20°C. The following results were obtained:
Based on the results in buffered systems it can be assumed that the water solubility is dependent on pH. However, due to the bipolarity of the molecules, it is noted that the counter ions present in the buffers (phosphate, citrate and borate, respectively) obviously have a more distinct influence on solubility than pH, since the solubility is almost three orders of magnitude below that in pure water. Finally, at higher pH values, a change in composition due to hydrolysis may have a greater influence on the absolute solubility of the test item.
The water solubility of the target substance oleic acid-based TEA-Esterquat is assumed to be the same due to practically identical molecular structure.
Surface tension
The surface tension of the source substance partially unsaturated TEA-Esterquat was examined in a study conducted according to OECD Guideline 115 and EU-Method A.5 (ring method). The mean surface tension of an aqueous solution of 1 g/L partially unsaturated TEA-Esterquat was determined at 41.8 mN/m at 20°C. Because the test item shows a surface tension lower than 60 mN/m, the test item has surface active properties. Based on similar composition this result also applies to the target substance oleic acid-based TEA-Esterquat.
Flash point
The flash point of oleic acid-based TEA-Esterquat was determined according to DIN EN ISO 2719 (Pensky-Martens, closed cup) with a Pensky-Martens Semi-automatic apparatus PM4 (Petrotest). The test item was heated over night at 60°C, the liquid was placed in the test vessel. After closure of the vessel and starting the stirrer, the apparatus was heated. The test item was heated form room temperature to 200°C with a heating rate of 5.5°C/min Ignition trials were carried out regularly in order to ascertain whether or not the sample flashed at the current temperature. Two runs were performed. The flash point was 149°C at 1013 hPa.
Flammability, auto-flammability
No self-ignition temperature was observed for the source substance partially unsaturated TEA-Esterquat until the maximum temperature of 402°C, according to the testing guideline for auto-flammability (solids-determination of relative self-ignition temperature) in the sense of the consolidated version of Council Directive 67/548/EEC, Annex V, Method A.16 (Council Directive 92/69/EEC).
The flammability of partially unsaturated TEA-Esterquat was investigated in a study conducted according to EU-Method A.10. In a preliminary test, the test item could not be ignited with a flame. Therefore, the main test was not necessary to be conducted.
Based on the results, the test substance is not a highly flammable solid in the sense of the consolidated version of Council Directive 67/548/EEC, Annex V, Method A.10 (Council Directive 92/69/EEC). Due to practically identical molecular structure, also oleic acid-based TEA-Esterquat is considered not to be susceptible to self-ignition and not highly flammable.
Explosive and oxidizing properties
As indicated by structural aspects and underlined by estimated thermodynamic properties for the source substance partially unsaturated TEA-Esterquat, oleic acid-based TEA-Esterquat is not considered to have explosive and oxidising properties. Based on the results obtained with the capillary method, the decomposition of the substance starts at 260°C at atmospheric pressure.
Viscosity
The kinematic viscosity at 40°C was determined for Oleic acid-based TEA-Esterquat according to DIN 53015 (rolling ball viscosimeter by Höppler). Since test item is a highly viscous liquid with air bubbles enclosed, the kinematic viscosity was estimated after homogenization of the sample using a rolling ball viscosimeter by Höppler. The kinematic viscosity of the consumer item is therefore > 2500 mm²/s. There is no concern for aspiration toxicity hazard, since the viscosity is well above the kinematic viscosity of 20.5mm²/s, measured at 40°C.
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