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EC number: 946-979-6 | 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
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2018-05-01 to 2018-06-26
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Reaction product of 2-(2-aminoethoxy)ethanol and 2,2',2''-nitrilotriethanol and heptanoic acid and isononanoic acid
- EC Number:
- 946-979-6
- Molecular formula:
- N(C2H4OH)3 / NH2(C2H4OC2H4OH) / C6H13COOH / C8H17COOH or N(C2H4OH)3.C6H13COOH / N(C2H4OH)3.C8H17COOH / NH2(C2H4OC2H4OH).C6H13COOH / NH2(C2H4OC2H4OH).C8H17COOH .
- IUPAC Name:
- Reaction product of 2-(2-aminoethoxy)ethanol and 2,2',2''-nitrilotriethanol and heptanoic acid and isononanoic acid
- Test material form:
- liquid: viscous
- Details on test material:
- Test Substance Name: Reaction product of 2-(2-aminoethoxy)ethanol and 2,2',2''-nitrilotriethanol and heptanoic acid and isononanoic acid.
Product Name/Synonym: "Aminseifen".
EG number: 944-618-7.
Batch number: 2018-02 2023-02 03.
Purity of this sample/batchis: ~99,4% (contains ~0,6% water).
Description: liquid, viscous, light yellow up to brown.
Expiry date: February 2023.
Constituent 1
Study design
- Analytical method:
- high-performance liquid chromatography
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 0 - <= 2.66
- Temp.:
- 20 °C
- Remarks on result:
- other: Log Pow = <0 – 2.66 .
Any other information on results incl. tables
Estimation of partition coefficient:
Solvent | Mass of sample (mg) |
Solvent volume (ml) |
Predicted solubility (g/L) |
Log P | Analysis method |
Water | > 1010 | 1 | > 1010 | Not determined |
See comments |
Octanol | > 1002 | 1 | > 1002 | Not determined |
See comments |
Estimated log Pow = Not determined.
Comment: As the test item is multi-component, and fully miscible in both water and octanol, testing using the standard shake flask method would not be possible. It was decided to try and determine the partition coefficient for each component using the HPLC method. A calibration graph is generated using the retention time of reference materials with known Log Pow values.
It is recommended that the test materials are run in a non-ionised form. Due to the basic nature of the 2-(2-aminoethoxy)ethanol and the 2,2’,2’’-nitrilotriethanol, it was not possible to use a pH value for the mobile phase that would maintain these products in a nonionised form and not be detrimental to the HPLC column. Consequently the analysis was run using acidic conditions that would allow the acids present to be in a non-ionised form.
At the time of testing it was not possible to obtain a marker for the isononanoic acid. It is thought that given the data obtained, the peak having a retention time of 5.66 minutes possibly corresponds to that of isononanoic acid.
An HPLC method was developed and a calibration curve was generated by plotting the mean Log K value of reference materials against their Log Pow values. The followingreference materials were used:
Retention time: Thiourea 0.87; Acetanilide 1.33; Acetophenone 2.56; Toluene 6.84; Ethyl benzene 11.42; Isopropyl benzene 18.13.
N.B. Thiourea is traditionally used to obtain the retention of a non-retained product.
The retention times were also obtained for the following reference markers:
Retention time: 2-(2-aminoethoxy)ethanol 0.83; 2,2’,2’’-nitrilotriethanol (Triethanolamine) 1.37; heptanoic acid 3.12.
N.B. The retention times for the 2-(2-aminoethoxy)ethanol and 2,2’,2’’-nitrilotriethanol were slightly less than that for the non-retained peak (thiourea). This would imply that the Log Pow values for these products, under acidic conditions, is less than zero. The HPLC partition coefficient method is suitable for Log Pow values in the range 0 to 6.
The following retention times were obtained for the four main peaks in the supplied test material. The Log Pow values were calculated using the calibration curve.
Retention time | Log Pow | ||
Peak 1 | 2-(2-aminoethoxy)ethanol and 2,2’,2’’-nitrilotriethanol |
0.83 | <0 |
Peak 2 | Unknown | 1.37 | 1.00 |
Peak 3 | heptanoic acid | 3.12 | 2.10 |
Peak 4 | Thought to be isononanoic acid | 5.66 | 2.66 |
In an ideal situation it would be possible to have reference material with known Log Pow values that are similar to the products being tested. However as the test material contains components having both acidic or basic functionalities, this was not possible. Consequently the test was run against neutral materials under acidic conditions. It should be noted that the resultant Log Pow values are only applicable to the test material under acidic conditions.
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient (log Pow) at 20°C of the test substance is <0 – 2.66.
- Executive summary:
Partition coefficient (log Pow, 20°C): <0 – 2.66.
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