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EC number: 948-040-6 | 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
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- May 2022 to Feb 2023
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- The study was conducted in accordance OECD 203 (Jul-1992) guideline without deviation, under GLP. The study was appropriately modified using the principles outlined by Letinski et al., 2002 due to the possibility of critical micelles/emulsions forming.
- Reason / purpose for cross-reference:
- other: to support approach to CSA and study design of water solubility study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- 27 July 1995
- Deviations:
- yes
- Remarks:
- An adaptation of the standard method was performed taking into account the findings of Letinski, D.J., et al. (2002) “Slow-stir water solubility measurements of selected alcohols and diesters”, Chemosphere 48, 257-265 (7)
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- yes
- Remarks:
- An adaptation of the standard method was performed taking into account the findings of Letinski, D.J., et al. (2002) “Slow-stir water solubility measurements of selected alcohols and diesters”, Chemosphere 48, 257-265 (7)
- Principles of method if other than guideline:
- In a stirring vessel maintained at 20 ± 0.5 °C, ultrapure water containing the test item was slow stirred. The stirring rate was adjusted in order to form a minimal vortex. The aim of this method was to prevent the formation of emulsions when saturating water. Emulsions can be formed with the shake flask method and lead to a solubility overestimation. The water solubility was given by the mass concentration of the substance in water when a plateau was reached as a function of time and the experiment was replicate a total of three times.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- other: Slow stirring method
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: confidential
- Expiration date of the lot/batch: 01 July 2022
- Purity test date: N/D
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: 2-8 °C, protected from light
- Stability under test conditions: Presumed stable
- Solubility and stability of the test substance in the solvent/vehicle: not relevant
TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Treatment of test material prior to testing (e.g. warming, grinding): None
- Preliminary purification step (if any): None
- Final concentration of a dissolved solid, stock liquid or gel: N/A - Key result
- Water solubility:
- 156 mg/L
- Conc. based on:
- act. ingr.
- Remarks:
- Dibutylamine
- Loading of aqueous phase:
- 100 g/L
- Incubation duration:
- 9 d
- Temp.:
- 20 °C
- Remarks on result:
- other: Measured value for dibutylamine
- Key result
- Water solubility:
- 2 917 mg/L
- Conc. based on:
- act. ingr.
- Remarks:
- N,N,N,N-Tetrabutylmethylenediamine
- Loading of aqueous phase:
- 100 g/L
- Incubation duration:
- 9 d
- Temp.:
- 20 °C
- Remarks on result:
- other: Measured value for N,N,N’,N’-Tetrabutylmethylenediamine
- Details on results:
- Incubation of vessel one was performed for 9 days. The samples collected on day 4, 7, 8 and 9 indicated that the concentrations of TBMDA and DBA had reached equilibrium. This was verified based on the two following criteria; 1. The slope of concentrations vs time for these samples was not significantly different from 0. 2. The maximum difference between the four samples was below 15%.
The solubility of the test item main constituents (TBMDA and DBA) in water is given by the mean of the equilibrium concentrations determined for each vessel:
- 2917 ± 101 mg/L for N,N,N’,N’-TETRABUTYLMETHYLENEDIAMINE;
- 156 ± 5 mg/L for DIBUTYLAMINE.
The maximum differences observed between the determinations from the three vessels was 8% for TBMDA and 7% for DBA, which proves that an acceptable repeatability is obtained (the OECD 105 acceptability criterion for the maximum difference is 15% for the shake flask method). - Conclusions:
- The water solubility of TBMDA and DBA was determined to be
- 2917 ± 101 mg/L for N,N,N’,N’-TETRABUTYLMETHYLENEDIAMINE;
- 156 ± 5 mg/L for DIBUTYLAMINE. - Executive summary:
The water solubility of N,N,N',N'-tetrabutylmethylenediamine and dibutylamine was determined in an OECD 105 study using a slow stirring method. Test vessels were spiked with the test item at a loading rate of 100 g/L and stirred for a total of 9 days. The concentration of N,N,N',N'-tetrabutylmethylenediamine and dibutylamine were determined and the water solubility of each substance was determined as the average measured concentration at equilibrium.
The water solubility of TBMDA and DBA was 2917 mg/L and 156 mg/L, respectively.
Reference
Measured Concentrations in Vessel 1
|
| TBMDA | DBA | ||||
Sampling date (y/m/d h:min) | Stirring duration (day) | Rep. 1 | Rep. 2 | Mean | Rep. 1 | Rep. 2 | Mean |
2022/5/9 10:40 (Preparation T0) | 0 | - | - | - | - | - | - |
2022/5/10 9:55 | 1 | 4955 | 4328 | 4642 | 397 | 376 | 387 |
2022/5/11 9:50 | 2 | 3151 | 3521 | 3336 | 269 | 280 | 275 |
2022/5/12 8:50 | 3 | 3073 | 3353 | 3213 | 194 | 176 | 185 |
2022/5/13 8:30 | 4 | 3014 | 3434 | 3224 | 172 | 156 | 164 |
2022/5/16 8:30 | 7 | 3309 | 3038 | 3174 | 170 | 175 | 173 |
2022/5/17 10:50 | 8 | 2927 | 2865 | 2896 | 157 | 147 | 152 |
2022/5/18 8:30 | 9 | 2795 | 2909 | 2852 | 163 | 162 | 163 |
Measured Concentrations in Vessels 2 and 3
| TBMDA | DBA | ||||
Rep. 1 | Rep. 2 | Rep. 1 | Rep. 2 | Rep. 1 | Rep. 2 | |
Vessel 2 | 3240 | 2610 | 2925 | 153 | 150 | 152 |
Vessel 3 | 2914 | 2666 | 2790 | 156 | 152 | 154 |
Average Equilibrium Concentrations
| TBMDA | DBA |
Vessel 1 | 3037 | 163 |
Vessel 2 | 2925 | 152 |
Vessel 3 | 2790 | 154 |
Description of key information
Water solubility = 156 mg/L; OECD 105 (using Letinski et al. (2002) modification); Mata, 2023
Key value for chemical safety assessment
- Water solubility:
- 156 mg/L
- at the temperature of:
- 20 °C
Additional information
A surface tension study in water was also performed on dibutylamine alone. The test supports the methods employed for water solubility. Dibutylamine is known to be surface active and therefore critical micelles below the water solubility may impact water solubility interpretation. However, as no critical micelles were formed below the water solubility of dibutyamine, this effect would not affect interpretation of the results for water solubility. Moreover, in this mixture, dibutylamine's water solublity was < 1000 mg/L, thus no critical micelles would have formed. The test was also conducted to ensure that water solubility was the most relevant parameter to use during exposure assessment. It also meant that, if any micelles formed below 3.8 g/L that this could be attributed to N,N,N',N' tetrabutylmethylenediamine.
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